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After pretreatment in Ar and in CO\/H2 the system was found to be an active catalyst of vapour phase propene hydroformylation at atmospheric pressure. The nature and composition of the active surface was studied by X-ray diffraction, X-ray photoemission spectroscopy (XPS) and Fourier transform-IR spectroscopy. Regioselectivity and chemoselectivity data are correlated to the proposed nature and morphology of the active sites of the catalyst derived from spectroscopic data. The Rh\/Al system is compared with the Rh\/B system we described in preceding papers."},"meta":{},"created_at":"2023-11-20T15:12:26.179196Z","updated_at":"2023-12-11T08:24:01.151453Z","inner_id":4,"total_annotations":1,"cancelled_annotations":0,"total_predictions":0,"comment_count":0,"unresolved_comment_count":0,"last_comment_updated_at":null,"project":1,"updated_by":1,"comment_authors":[]},{"id":5,"annotations":[{"id":4,"completed_by":1,"result":[{"value":{"start":4,"end":13,"text":"reduction","labels":["Treatment"]},"id":"uPtYWB1IAl","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":282,"end":285,"text":"TPR","labels":["Characterization"]},"id":"Kos5jfVDCp","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":290,"end":293,"text":"XPS","labels":["Characterization"]},"id":"roi0pwAMZ1","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":432,"end":437,"text":"FT-IR","labels":["Characterization"]},"id":"R0CMjwJ6dr","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":442,"end":445,"text":"XRD","labels":["Characterization"]},"id":"GGuQE2buxo","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":569,"end":597,"text":"atmospheric hydroformylation","labels":["Reaction"]},"id":"9Gp2Jv0HhG","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":736,"end":752,"text":"hydroformylation","labels":["Reaction"]},"id":"NjWhZmvtKH","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":601,"end":608,"text":"propene","labels":["Reactant"]},"id":"jEwfxFY-tP","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":788,"end":804,"text":"linear aldehydes","labels":["Product"]},"id":"crKpip-A4g","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":158,"end":178,"text":"rhodium crystallites","labels":["Catalyst"]},"id":"oPH2U6Zd78","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":192,"end":214,"text":"cobalt oxide\/hydroxide","labels":["Catalyst"]},"id":"7aibqrNLs6","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":872,"end":884,"text":"cobalt oxide","labels":["Catalyst"]},"id":"q3Db3rAaUc","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":299,"end":311,"text":"cobalt oxide","labels":["Catalyst"]},"id":"M4gOAE0i0w","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":341,"end":356,"text":"rhodium surface","labels":["Catalyst"]},"id":"WXPIpsgfyF","from_name":"label","to_name":"text","type":"labels","origin":"manual"}],"was_cancelled":false,"ground_truth":false,"created_at":"2023-11-20T15:40:45.139550Z","updated_at":"2023-11-21T12:14:02.149120Z","draft_created_at":"2023-11-20T15:39:38.010841Z","lead_time":282.341,"prediction":{},"result_count":0,"unique_id":"d04f78f6-3ab3-4d68-bd44-5bd88e27de7c","import_id":null,"last_action":null,"task":5,"project":1,"updated_by":1,"parent_prediction":null,"parent_annotation":null,"last_created_by":null}],"file_upload":"8de5469c-labling.json","drafts":[],"predictions":[],"data":{"text":"The reduction of cobalt and rhodium salts coadsorbed on silica by aqueous NaBH4 at 273 K in Ar allows the synthesis of catalytic systems formed by very small rhodium crystallites (< 4 nm) and cobalt oxide\/hydroxide. The presence of an unreduced cobalt species is well documented by TPR and XPS. The cobalt oxide is probably deposited on the rhodium surface, obscuring a large amount of the active metal centers. As can be judged by FT-IR and XRD data the morphology of the system is not modified by thermal treatments in CO and H2. The system resulted inactive for the atmospheric hydroformylation of propene, but actively catalyzed the reaction when a slight pressure (506 kPa) was applied. The high values of chemoselectivity towards hydroformylation (R = 0.75) and regioselectivity to linear aldehydes (S(L) = 96) can be due to the electronic and steric effects of the cobalt oxide layer."},"meta":{},"created_at":"2023-11-20T15:13:22.019107Z","updated_at":"2023-12-11T08:24:10.617526Z","inner_id":5,"total_annotations":1,"cancelled_annotations":0,"total_predictions":0,"comment_count":0,"unresolved_comment_count":0,"last_comment_updated_at":null,"project":1,"updated_by":1,"comment_authors":[]},{"id":6,"annotations":[{"id":6,"completed_by":1,"result":[{"value":{"start":0,"end":8,"text":"Ethylene","labels":["Reactant"]},"id":"46NxUW5F44","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":9,"end":25,"text":"hydroformylation","labels":["Reaction"]},"id":"TsrYQX5Vgf","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":30,"end":45,"text":"carbon 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hydroformylation and carbon monoxide hydrogenation (leading to methanol and C2-oxygenates) over Rh\/SiO2 catalysts share several important common mechanistic features, namely, CO insertion and metal-carbon (acyl or alkyl) bond hydrogenation. However, these processes are differentiated in that the CO hydrogenation also requires an initial CO dissociation before catalysis can proceed. In this study, the catalytic response to changes in particle size and to the addition of metal additives was studied to elucidate the differences in the two processes. In the hydroformylation process, both hydroformylation and hydrogenation of ethylene occurred concurrently. The desirable hydroformylation was enhanced over fine Rh particles with maximum activity observed at a particle diameter of 3.5 nm and hydrogenation was favored over large particles. CO hydrogenation was favored by larger particles. These results suggest that hydroformylation occurs at the edge and corner Rh sites, but that the key step in CO hydrogenation is different from that in hydroformylation and occurs on the surface. The addition of group II-VIII metal oxides, such as MoO3, Sc2O3, TiO2, V2O5, and Mn2O3, which are expected to enhance CO dissociation, leads to increased rates in CO hydrogenation, but only served to slow the hydroformylation process slightly without any effect on the selectivity. Similar comparisons using basic metals, such as the alkali and alkaline earths, which should enhance selectivity for insertion of CO over hydrogenation, increased the selectivity for the hydroformylation over hydrogenation as expected, although catalytic activity was reduced. Similarly, the selectivity toward organic oxygenates (a reflection of the degree of CO insertion) in CO hydrogenation was also increased."},"meta":{},"created_at":"2023-11-20T15:13:54.585120Z","updated_at":"2023-12-11T08:24:20.144266Z","inner_id":6,"total_annotations":1,"cancelled_annotations":0,"total_predictions":0,"comment_count":0,"unresolved_comment_count":0,"last_comment_updated_at":null,"project":1,"updated_by":1,"comment_authors":[]},{"id":7,"annotations":[{"id":39,"completed_by":1,"result":[{"value":{"start":10,"end":26,"text":"hydroformylation","labels":["Reaction"]},"id":"VgijGpEbhJ","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":365,"end":378,"text":"5%Rh on Al2O3","labels":["Catalyst"]},"id":"en73z-jl-6","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":380,"end":393,"text":"1%Co on Al2O3","labels":["Catalyst"]},"id":"2FrDxlqq4a","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":398,"end":420,"text":"0.5%Co-0.5%Rh on Al2O3","labels":["Catalyst"]},"id":"vv2bPbzABW","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":454,"end":460,"text":"ethane","labels":["Product"]},"id":"Ta_8dcTQ9Z","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":462,"end":470,"text":"propanal","labels":["Product"]},"id":"6x0H5BXOA2","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":475,"end":483,"text":"propanol","labels":["Product"]},"id":"tdB4-kbSrG","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":489,"end":500,"text":"Rh catalyst","labels":["Catalyst"]},"id":"wkwyP24X9c","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":520,"end":536,"text":"hydroformylation","labels":["Reaction"]},"id":"XuNQ3MFPxA","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":541,"end":554,"text":"hydrogenation","labels":["Reaction"]},"id":"fEe9ZHgc77","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":689,"end":702,"text":"hydrogenation","labels":["Reaction"]},"id":"XCrJ24mIuK","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":767,"end":783,"text":"hydroformylation","labels":["Reaction"]},"id":"ixN2AnzjFK","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":792,"end":803,"text":"Rh catalyst","labels":["Catalyst"]},"id":"NeeslVz5-z","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":812,"end":820,"text":"ethylene","labels":["Reactant"]},"id":"AggVxFECMv","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":874,"end":876,"text":"CO","labels":["Reactant"]},"id":"e0PMSCwZxF","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":906,"end":914,"text":"propanal","labels":["Product"]},"id":"EysWIReLEL","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":919,"end":927,"text":"propanol","labels":["Product"]},"id":"YliMpp05yz","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":213,"end":215,"text":"CO","labels":["Reactant"]},"id":"ArvP7tgQFw","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":217,"end":222,"text":"C 2H4","labels":["Reactant"]},"id":"va53I40sQ8","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":227,"end":229,"text":"H2","labels":["Reactant"]},"id":"QTcpcZlKaY","from_name":"label","to_name":"text","type":"labels","origin":"manual"}],"was_cancelled":false,"ground_truth":false,"created_at":"2023-11-20T22:32:51.899128Z","updated_at":"2023-11-20T22:32:51.899128Z","draft_created_at":"2023-11-20T22:31:02.762883Z","lead_time":193.47,"prediction":{},"result_count":0,"unique_id":"9e5cd0c8-6d69-44cb-a232-cc5ca05ee9c0","import_id":null,"last_action":null,"task":7,"project":1,"updated_by":1,"parent_prediction":null,"parent_annotation":null,"last_created_by":null}],"file_upload":"e91da350-labling.json","drafts":[],"predictions":[],"data":{"text":"Intrinsic hydroformylation kinetics have been measured in a high-throughput kinetic test setup at temperatures varying from 448 to 498 K, with the total pressure ranging from 1 to 3 MPa. A gaseous feed containing CO, C 2H4 and H2 was used with space times varying from 2.7 kgcat s\/molC2H4,in to 149 kgcat s\/molC2H4,in. Three catalysts have been investigated, i.e., 5%Rh on Al2O3, 1%Co on Al2O3 and 0.5%Co-0.5%Rh on Al2O3. The main products observed were ethane, propanal and propanol. The Rh catalyst showed the highest hydroformylation and hydrogenation site time conversions in the investigated range of operating conditions. Moreover it was found on all investigated catalysts that the hydrogenation activation energy was about 15-20 kJ mol-1 higher than that for hydroformylation. On the Rh catalyst, higher ethylene feed concentrations have a more pronounced effect on CO conversion and production of propanal and propanol compared with an increase in the inlet concentration of the other reactants.© 2013 Elsevier B.V. All rights reserved."},"meta":{},"created_at":"2023-11-20T15:14:47.087125Z","updated_at":"2023-12-11T08:24:29.690971Z","inner_id":7,"total_annotations":1,"cancelled_annotations":0,"total_predictions":0,"comment_count":0,"unresolved_comment_count":0,"last_comment_updated_at":null,"project":1,"updated_by":1,"comment_authors":[]},{"id":8,"annotations":[{"id":10,"completed_by":1,"result":[{"value":{"start":2,"end":50,"text":"bimetallic SiO2-supported RhCo3 cluster catalyst","labels":["Catalyst"]},"id":"jFNsD_GscR","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":90,"end":104,"text":"coimpregnation","labels":["Treatment"]},"id":"-yEfRV8MPC","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":117,"end":132,"text":"decarbonylation","labels":["Treatment"]},"id":"GGF0cnrHYH","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":170,"end":190,"text":"atmospheric ethylene","labels":["Reactant"]},"id":"quhjqBtUCA","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":191,"end":207,"text":"hydroformylation","labels":["Reaction"]},"id":"0ptrIGicwD","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":268,"end":278,"text":"RhCo3\/SiO2","labels":["Catalyst"]},"id":"T0ebJvaKLq","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":341,"end":357,"text":"binary catalysts","labels":["Catalyst"]},"id":"140s6f24Ds","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":503,"end":525,"text":"monometallic catalysts","labels":["Catalyst"]},"id":"Ed1usuIHvQ","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":605,"end":612,"text":"rhodium","labels":["Catalyst"]},"id":"EKOKGa459Q","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":617,"end":623,"text":"cobalt","labels":["Catalyst"]},"id":"ud7O-zixEZ","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":645,"end":665,"text":"bimetallic catalysis","labels":["Catalyst"]},"id":"RYdM6Z9NBo","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":442,"end":452,"text":"RhCo3\/SiO2","labels":["Catalyst"]},"id":"FdLNRzfyOZ","from_name":"label","to_name":"text","type":"labels","origin":"manual"}],"was_cancelled":false,"ground_truth":false,"created_at":"2023-11-20T16:05:37.452148Z","updated_at":"2023-11-21T12:30:25.726495Z","draft_created_at":"2023-11-20T16:05:00.452658Z","lead_time":233.46000000000004,"prediction":{},"result_count":0,"unique_id":"fd0e0735-5106-4ff2-9132-a6b0b4d3e236","import_id":null,"last_action":null,"task":8,"project":1,"updated_by":1,"parent_prediction":null,"parent_annotation":null,"last_created_by":null}],"file_upload":"cdb4dc8b-labling.json","drafts":[],"predictions":[],"data":{"text":"A bimetallic SiO2-supported RhCo3 cluster catalyst derived from Rh4(CO)12 and Co2(CO)8 by coimpregnation followed by decarbonylation under H2 at 623 K has been probed by atmospheric ethylene hydroformylation at 423 K. The catalytic behavior is consistent with that of RhCo3\/SiO2 derived from RhCo3(CO)12. At the same time, the corresponding binary catalysts prepared from inorganic rhodium and cobalt salts exhibit much lower activities than RhCo3\/SiO2 and significantly enhanced activities compared to monometallic catalysts. The results suggest that the increase in catalytic activity by combination of rhodium and cobalt is attributed to the bimetallic catalysis by RhCo3 clusters regardless of the synergistic catalysis by monometallic rhodium and cobalt sites."},"meta":{},"created_at":"2023-11-20T15:15:24.968871Z","updated_at":"2023-12-11T08:24:36.590624Z","inner_id":8,"total_annotations":1,"cancelled_annotations":0,"total_predictions":0,"comment_count":0,"unresolved_comment_count":0,"last_comment_updated_at":null,"project":1,"updated_by":1,"comment_authors":[]},{"id":9,"annotations":[{"id":12,"completed_by":1,"result":[{"value":{"start":85,"end":101,"text":"hydroformylation","labels":["Reaction"]},"id":"yvpxANTY70","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":225,"end":249,"text":"RhCo bimetallic catalyst","labels":["Catalyst"]},"id":"PFlDcPNyMI","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":302,"end":304,"text":"Co","labels":["Catalyst"]},"id":"6PyTgBjMEV","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":313,"end":340,"text":"gas- phase hydroformylation","labels":["Reaction"]},"id":"ZVXAZoWCtk","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":344,"end":350,"text":"ethene","labels":["Reactant"]},"id":"tNsEUxQZ8w","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":359,"end":361,"text":"Co","labels":["Catalyst"]},"id":"DN5Tw1-1mJ","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":365,"end":367,"text":"Rh","labels":["Catalyst"]},"id":"So7r4NVPWH","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":429,"end":439,"text":"oxygenates","labels":["Product"]},"id":"2umY2goexM","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":476,"end":506,"text":"Fourier transform spectroscopy","labels":["Characterization"]},"id":"k_orEe20ce","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":511,"end":547,"text":"CO-temperature programmed desorption","labels":["Characterization"]},"id":"EATvaLu7_B","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":629,"end":631,"text":"Co","labels":["Catalyst"]},"id":"Kn3xhOVOsD","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":635,"end":637,"text":"Rh","labels":["Catalyst"]},"id":"hOq5kf2w-w","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":691,"end":708,"text":"Rh-based catalyst","labels":["Catalyst"]},"id":"TQL9MtJPZW","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":955,"end":979,"text":"RhCo bimetallic catalyst","labels":["Catalyst"]},"id":"yafWwt89l0","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":0,"end":29,"text":"Rh-based bimetallic catalysts","labels":["Catalyst"]},"id":"_bxig5Y9Su","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":44,"end":80,"text":"ligand- free heterogeneous catalysts","labels":["Catalyst"]},"id":"peqZ0l7sYw","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":197,"end":219,"text":"heterogenous catalysts","labels":["Catalyst"]},"id":"m-_1eG344L","from_name":"label","to_name":"text","type":"labels","origin":"manual"}],"was_cancelled":false,"ground_truth":false,"created_at":"2023-11-20T16:10:05.897413Z","updated_at":"2023-11-20T16:10:05.897413Z","draft_created_at":"2023-11-20T16:09:15.372848Z","lead_time":89.168,"prediction":{},"result_count":0,"unique_id":"5238e7d6-03dd-4853-9aa5-fdd1cd566869","import_id":null,"last_action":null,"task":9,"project":1,"updated_by":1,"parent_prediction":null,"parent_annotation":null,"last_created_by":null}],"file_upload":"91ee87b9-labling.json","drafts":[],"predictions":[],"data":{"text":"Rh-based bimetallic catalysts are promising ligand- free heterogeneous catalysts for hydroformylation reactions. It is important this bimetallic promotion for designing highly selective and active heterogenous catalysts. the RhCo bimetallic catalyst was investigated focusing on the promotion effect of Co for the gas- phase hydroformylation of ethene. Adding Co to Rh increased both the catalytic productivity and selectivity to oxygenates. In situ diffuse reflectance infrared Fourier transform spectroscopy and CO-temperature programmed desorption were used to characterize CO adsorption. The results showed that the addition of Co to Rh changed the CO adsorption modes and strength for the Rh-based catalyst. Modulated CO adsorption strength was important to enhance selectivity. Density functional theory calculations were carried out to reveal the reaction mechanism. A reaction pathway was proposed to clarify the reason for enhanced selectivity on a RhCo bimetallic catalyst and show that the ratio between CO migration and desorption played a great role in this reaction."},"meta":{},"created_at":"2023-11-20T15:16:33.394760Z","updated_at":"2023-12-11T08:24:42.429722Z","inner_id":9,"total_annotations":1,"cancelled_annotations":0,"total_predictions":0,"comment_count":0,"unresolved_comment_count":0,"last_comment_updated_at":null,"project":1,"updated_by":1,"comment_authors":[]},{"id":10,"annotations":[{"id":14,"completed_by":1,"result":[{"value":{"start":23,"end":118,"text":"heterogeneous rhodium oxide catalyst encapsulated within microporous silicalite-1 (S-1) zeolite","labels":["Catalyst"]},"id":"af8cpl89mL","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":120,"end":129,"text":"Rh2O3@S-1","labels":["Catalyst"]},"id":"53i-9KSOCU","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":213,"end":241,"text":"scanning electron microscopy","labels":["Characterization"]},"id":"TiVfV-nOeK","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":243,"end":246,"text":"SEM","labels":["Characterization"]},"id":"t88Ls8Wkxy","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":249,"end":281,"text":"transmission electron microscopy","labels":["Characterization"]},"id":"q0trMf6gO5","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":283,"end":286,"text":"TEM","labels":["Characterization"]},"id":"ol3AWCpSUO","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":293,"end":325,"text":"X-ray photoelectron spectroscopy","labels":["Characterization"]},"id":"cV1a3Yt55O","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":327,"end":330,"text":"XPS","labels":["Characterization"]},"id":"RBCGBzr3vR","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":578,"end":587,"text":"Rh2O3@S-1","labels":["Catalyst"]},"id":"c6h6l7rqWs","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":700,"end":708,"text":"1-hexene","labels":["Reactant"]},"id":"nBqZV6mcD3","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":734,"end":744,"text":"1-dodecene","labels":["Reactant"]},"id":"AOdYrtVZps","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":804,"end":832,"text":"supported Rh2O3\/S-1 catalyst","labels":["Catalyst"]},"id":"shASVLteqN","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":899,"end":911,"text":"Rh2O3@S-1-II","labels":["Catalyst"]},"id":"7TPsiSQ7Bu","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":987,"end":1030,"text":"ligand- free rhodium nanoparticle catalysts","labels":["Catalyst"]},"id":"GgZ-OlpF-r","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":589,"end":602,"text":"Rh2O3@ S-1-II","labels":["Catalyst"]},"id":"FKjbd8Ou8Q","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":657,"end":673,"text":"hydroformylation","labels":["Reaction"]},"id":"OIBc8i6BVj","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":677,"end":692,"text":"terminal olefins","labels":["Reactant"]},"id":"SFNAmILOdu","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":710,"end":718,"text":"1-octene","labels":["Reactant"]},"id":"VkO-07g8LJ","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":720,"end":728,"text":"1-decene","labels":["Reactant"]},"id":"XnBDdB4vg_","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":1057,"end":1084,"text":"spectroscopy investigations","labels":["Characterization"]},"id":"gwxT_FCeDj","from_name":"label","to_name":"text","type":"labels","origin":"manual"}],"was_cancelled":false,"ground_truth":false,"created_at":"2023-11-20T16:19:15.957642Z","updated_at":"2023-11-20T16:19:15.957642Z","draft_created_at":"2023-11-20T16:15:02.515263Z","lead_time":293.468,"prediction":{},"result_count":0,"unique_id":"ce8f43ee-f6df-4a16-bb75-06cb150d1abb","import_id":null,"last_action":null,"task":10,"project":1,"updated_by":1,"parent_prediction":null,"parent_annotation":null,"last_created_by":null}],"file_upload":"56699fdd-labling.json","drafts":[],"predictions":[],"data":{"text":"This work reported the heterogeneous rhodium oxide catalyst encapsulated within microporous silicalite-1 (S-1) zeolite (Rh2O3@S-1) through epitaxial growth of S-1 seeds pre-anchored with rhodium species. Based on scanning electron microscopy (SEM), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS) results, S-1 seeds were successfully covered by the S-1 shell and rhodium oxide was meanwhile well embedded within the zeolitic microchannel. Furthermore, a thicker S-1 shell could be modulated by secondary epitaxial growth of the as-synthesized Rh2O3@S-1 (Rh2O3@ S-1-II). Those catalysts, for the first time, were applied in hydroformylation of terminal olefins, i.e., 1-hexene, 1-octene, 1-decene, and 1-dodecene, and exhibited enhanced regioselectivity compared with the supported Rh2O3\/S-1 catalyst. Strikingly, with more abundant and integrated S-1 microchannels, Rh2O3@S-1-II manifested relatively the most competitive regioselectivity in the field of ligand- free rhodium nanoparticle catalysts. Experimental results and spectroscopy investigations revealed that the promoted regioselectivity was the consequence of distinctive product diffusion rates endowed by the intrinsically steric hindrance of the S- 1 microchannel around the rhodium oxide."},"meta":{},"created_at":"2023-11-20T15:17:11.076909Z","updated_at":"2023-12-11T08:24:50.552749Z","inner_id":10,"total_annotations":1,"cancelled_annotations":0,"total_predictions":0,"comment_count":0,"unresolved_comment_count":0,"last_comment_updated_at":null,"project":1,"updated_by":1,"comment_authors":[]},{"id":11,"annotations":[{"id":16,"completed_by":1,"result":[{"value":{"start":209,"end":248,"text":"Rh- based atomically dispersed catalyst","labels":["Catalyst"]},"id":"peR0JUWcDT","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":253,"end":258,"text":"olefin","labels":["Reactant"]},"id":"j_-Tr3aXTm","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":259,"end":275,"text":"hydroformylation","labels":["Reaction"]},"id":"ziGwYOsoDz","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":585,"end":587,"text":"Rh","labels":["Catalyst"]},"id":"3eFN3qVr5v","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":631,"end":647,"text":"linear aldehydes","labels":["Product"]},"id":"B2H-FLm-_n","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":651,"end":667,"text":"hydroformylation","labels":["Reaction"]},"id":"_5B2ZMxxD-","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":863,"end":879,"text":"hydroformylation","labels":["Reaction"]},"id":"WE-1iT6pdn","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":906,"end":913,"text":"rhodium","labels":["Catalyst"]},"id":"QBWFACFf_r","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":423,"end":455,"text":"Rh on ZnO modified with Pi and Co","labels":["Catalyst"]},"id":"gJ8Hi47dyk","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":813,"end":843,"text":"atomically dispersed catalysts","labels":["Catalyst"]},"id":"sRE2UAhiAi","from_name":"label","to_name":"text","type":"labels","origin":"manual"}],"was_cancelled":false,"ground_truth":false,"created_at":"2023-11-20T16:23:38.131499Z","updated_at":"2023-11-21T12:55:21.281481Z","draft_created_at":"2023-11-20T16:23:22.528504Z","lead_time":227.207,"prediction":{},"result_count":0,"unique_id":"8f07545b-5d0d-4615-8e85-b4494556bfb7","import_id":null,"last_action":null,"task":11,"project":1,"updated_by":1,"parent_prediction":null,"parent_annotation":null,"last_created_by":null}],"file_upload":"de57b3d8-labling.json","drafts":[],"predictions":[],"data":{"text":"In the study of heterogeneity of homogeneous processes, effective control of the microenvironment of active sites is a reliable means to improve the selectivity of products. Here, we develop a high-performance Rh- based atomically dispersed catalyst for olefin hydroformylation by controlling the electronic environment and spatial distribution of active metals on the supports, which is achieved through wet impregnation of Rh on ZnO modified with Pi and Co. Various characterizations demonstrate that Co weakens Rh− CO interactions and Pi promotes the formation of atomically dispersed Rh, which thereby improves the selectivity of linear aldehydes in hydroformylation. This strategy of rationally designing the local microenvironment of active metals is important to optimize the catalytic performance. KEYWORDS: atomically dispersed catalysts, microenvironment, hydroformylation, heterogeneous catalysis, rhodium, electronic effect."},"meta":{},"created_at":"2023-11-20T15:17:38.286770Z","updated_at":"2023-12-11T08:25:00.730604Z","inner_id":11,"total_annotations":1,"cancelled_annotations":0,"total_predictions":0,"comment_count":0,"unresolved_comment_count":0,"last_comment_updated_at":null,"project":1,"updated_by":1,"comment_authors":[]},{"id":12,"annotations":[{"id":18,"completed_by":1,"result":[{"value":{"start":124,"end":153,"text":"liquid-phase hydroformylation","labels":["Reaction"]},"id":"NEJNsgmPqX","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":253,"end":261,"text":"Rh2P NPs","labels":["Catalyst"]},"id":"h5KUcsDzdb","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":654,"end":663,"text":"pyrolysis","labels":["Treatment"]},"id":"Uq2UVHkBeg","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":817,"end":849,"text":"transmission electron microscopy","labels":["Characterization"]},"id":"oP1VX_W_Uk","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":851,"end":868,"text":"X- ray diffraction","labels":["Characterization"]},"id":"a-PGu-30gb","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":874,"end":903,"text":"X-ray adsorption spectroscopy","labels":["Characterization"]},"id":"lvC4Zp-MF6","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":1101,"end":1109,"text":"Rh2P NPs","labels":["Catalyst"]},"id":"-_AFe4kiI5","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":1152,"end":1181,"text":"liquid-phase hydroformylation","labels":["Reaction"]},"id":"sXI_PVhHqy","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":1434,"end":1452,"text":"Rh2P nanoparticles","labels":["Catalyst"]},"id":"LgZRuXEslS","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":1510,"end":1513,"text":"XAS","labels":["Characterization"]},"id":"QSwp89iBik","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":1532,"end":1537,"text":"HRTEM","labels":["Characterization"]},"id":"W0Dk9J5luQ","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":924,"end":927,"text":"XAS","labels":["Characterization"]},"id":"aKSKDrTLw6","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":944,"end":952,"text":"Rh2P NPs","labels":["Catalyst"]},"id":"0kVwp-dWOi","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":1479,"end":1508,"text":"liquid-phase hydroformylation","labels":["Reaction"]},"id":"ZgQT1YnEN2","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":0,"end":18,"text":"Rh2P nanoparticles","labels":["Catalyst"]},"id":"F9oFSEB7Pp","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":67,"end":80,"text":"[RhI(Ph3P)3]+","labels":["Catalyst"]},"id":"OjR2_gVMM_","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":99,"end":120,"text":"homogeneous catalysts","labels":["Catalyst"]},"id":"nsgnHzZrJ3","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":587,"end":605,"text":"Rh2P nanoparticles","labels":["Catalyst"]},"id":"Hyrx7MFJd-","from_name":"label","to_name":"text","type":"labels","origin":"manual"}],"was_cancelled":false,"ground_truth":false,"created_at":"2023-11-20T16:46:47.543324Z","updated_at":"2023-11-20T22:35:44.313029Z","draft_created_at":"2023-11-20T16:44:26.582086Z","lead_time":1570.3369999999998,"prediction":{},"result_count":0,"unique_id":"a3a55d5f-fdf9-44fc-8fd9-25f06e3c1ed3","import_id":null,"last_action":null,"task":12,"project":1,"updated_by":1,"parent_prediction":null,"parent_annotation":null,"last_created_by":null}],"file_upload":"67b1abe4-labling.json","drafts":[],"predictions":[],"data":{"text":"Rh2P nanoparticles (NPs) have been identified as suitable mimics of [RhI(Ph3P)3]+, the benchmark of homogeneous catalysts in liquid-phase hydroformylation. For this reason, a fitted synthetic strategy is required to develop catalysts based exclusively on Rh2P NPs. To attain this, two synthetic pathways have been devised. In the first one, two separate sources of Rh and P were used. In the second one, the Wilkinson complex was employed as a unique source of Rh and P to probe the positive influence of the well-defined molecular organization on the preparation of dispersed and controlled Rh2P nanoparticles, stabilized by carbon patches formed during the pyrolysis treatment from PPh3. In addition, metallic Rh nanoparticles were also synthesized to be used as reference. All catalysts have been compared by means of: transmission electron microscopy, X- ray diffraction, and X-ray adsorption spectroscopy. The application of XAS to the study of Rh2P NPs is unusual and has been essential in the discussion of the results. Starting with a well-defined metal precursor leads to the exclusive formation of Rh2P NPs with excellent catalytic activity for the liquid-phase hydroformylation. The role of P is to modulate the particle size and the electronic configuration of Rh species, resulting in the improvement of the catalytic performance and the obtention of turnover frequencies of 5236 h−1 at 60 °C and 17,788 h−1 at 100 °C. KEYWORDS: Rh2P nanoparticles, heterogeneous catalysis, liquid-phase hydroformylation, XAS characterization, HRTEM."},"meta":{},"created_at":"2023-11-20T15:18:06.660920Z","updated_at":"2023-12-11T08:25:08.292735Z","inner_id":12,"total_annotations":1,"cancelled_annotations":0,"total_predictions":0,"comment_count":0,"unresolved_comment_count":0,"last_comment_updated_at":null,"project":1,"updated_by":1,"comment_authors":[]},{"id":13,"annotations":[{"id":20,"completed_by":1,"result":[{"value":{"start":249,"end":253,"text":"Rh2P","labels":["Catalyst"]},"id":"LSdJo-mHA0","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":194,"end":198,"text":"Rh2P","labels":["Catalyst"]},"id":"xq5KJaUBvK","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":285,"end":292,"text":"styrene","labels":["Reactant"]},"id":"4uxpaxCyS7","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":293,"end":309,"text":"hydroformylation","labels":["Reaction"]},"id":"GgYgrDXLBB","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":338,"end":340,"text":"Rh","labels":["Catalyst"]},"id":"VyK91i8k45","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":450,"end":474,"text":"Rh2P 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homogeneous catalysts with phosphine ligands are highly active in hydroformylation reactions. Using DFT calculations, we found a similar electronic effect of inorganic phosphorus in the Rh2P structure. The energy profiles demon- strated that Rh2P would significantly enhance the styrene hydroformylation activity in comparison with Rh, which was further confirmed by experiments. Triphenylphosphine (PPh3) was used as the phosphorus source, and Rh2P supported on silica was prepared by impregnation at a relatively low temperature (550 °C). The turnover frequency (TOF) of styrene hydroformylation was increased to 1496 h−1, which was comparable with some single atom catalysts (SACs). Recycling tests showed a good stability in five runs. Furthermore, HAADF-STEM, XPS, and other characterizations confirmed the synthesis of the Rh2P structure. The promotion effect of P was bifunctional. On the one hand, the doped P separated the surface Rh atoms, which eliminated the surface hollow sites and prevented excessively strong adsorption of the reactants. On the other hand, electrons transferred from Rh to P, causing the surface Rh atoms to be positively charged, which was favorable for hydroformylation reactions. The geometric effects improved the dispersion and the electronic effects changed the rate-determining step from CO insertion to phenylpropionyl hydrogenation, both leading to a higher hydroformylation activity. KEYWORDS: rhodium phosphide, hydroformylation, styrene, density functional theory, Rh2P catalyst."},"meta":{},"created_at":"2023-11-20T15:18:42.063488Z","updated_at":"2023-12-11T08:25:14.366580Z","inner_id":13,"total_annotations":1,"cancelled_annotations":0,"total_predictions":0,"comment_count":0,"unresolved_comment_count":0,"last_comment_updated_at":null,"project":1,"updated_by":1,"comment_authors":[]},{"id":14,"annotations":[{"id":22,"completed_by":1,"result":[{"value":{"start":829,"end":845,"text":"hydroformylation","labels":["Reaction"]},"id":"8Io8JlzQqW","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":849,"end":857,"text":"ethylene","labels":["Reactant"]},"id":"JlzGMrld0B","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":861,"end":869,"text":"propanal","labels":["Product"]},"id":"_qVyk0J2He","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":1333,"end":1341,"text":"ethylene","labels":["Reactant"]},"id":"MrZ7Or1uKD","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":1342,"end":1358,"text":"hydroformylation","labels":["Reaction"]},"id":"lYqf8BifBF","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":1363,"end":1376,"text":"hydrogenation","labels":["Reaction"]},"id":"308AKsuV0o","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":1556,"end":1560,"text":"ReOx","labels":["Catalyst"]},"id":"tFxJpEK8vj","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":2102,"end":2106,"text":"ReOx","labels":["Catalyst"]},"id":"J13l9GyHDO","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":1809,"end":1825,"text":"hydroformylation","labels":["Reaction"]},"id":"uzCI6AiAeK","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":1920,"end":1924,"text":"ReOx","labels":["Catalyst"]},"id":"x3kzttsNEC","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":1930,"end":1946,"text":"hydroformylation","labels":["Reaction"]},"id":"xyOvc8-naD","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":1968,"end":1977,"text":"acylation","labels":["Reaction"]},"id":"PiVpPSawUk","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":2072,"end":2081,"text":"acylation","labels":["Reaction"]},"id":"rDfTT1kqMk","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":2254,"end":2258,"text":"ReOx","labels":["Catalyst"]},"id":"BlKX9PzZfn","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":2420,"end":2436,"text":"hydroformylation","labels":["Reaction"]},"id":"tMUKemOBRn","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":2395,"end":2408,"text":"hydrogenation","labels":["Reaction"]},"id":"PjPSyrX0Jm","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":2386,"end":2394,"text":"ethylene","labels":["Reactant"]},"id":"CloIpgRnfW","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":2286,"end":2294,"text":"propanal","labels":["Product"]},"id":"TSfBp7CfdZ","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":2488,"end":2495,"text":"rhodium","labels":["Catalyst"]},"id":"FXgRhFJ7st","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":0,"end":52,"text":"Atomically dispersed late transition-metal catalysts","labels":["Catalyst"]},"id":"TUpUY0JF6h","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":761,"end":820,"text":"atomically dispersed Rh−ReOx pairs on the γ-alumina support","labels":["Catalyst"]},"id":"91TpnT2h8Z","from_name":"label","to_name":"text","type":"labels","origin":"manual"}],"was_cancelled":false,"ground_truth":false,"created_at":"2023-11-20T17:28:45.715048Z","updated_at":"2023-11-20T17:28:45.715048Z","draft_created_at":"2023-11-20T17:26:24.150055Z","lead_time":159.164,"prediction":{},"result_count":0,"unique_id":"bdb4b5f1-5389-43ed-84b4-f1c2be8c037a","import_id":null,"last_action":null,"task":14,"project":1,"updated_by":1,"parent_prediction":null,"parent_annotation":null,"last_created_by":null}],"file_upload":"de6f7689-labling.json","drafts":[],"predictions":[],"data":{"text":"Atomically dispersed late transition-metal catalysts on supports have demonstrated unexpectedly high activity and selectivity compared to metal clusters, attributed to the unique electronic properties determined by the metal−support interface and the presence of promoters that modify the local environment of the single-atom site. Through cooperativity and synergism, these structures provide a fertile ground for catalyst discovery. Understanding these materials at the atomic scale and how to tune their electronic properties will be key for designing novel catalysts for selective chemistries. Here, we use density functional theory calculations and first-principles microkinetic modeling to unveil extensive mechanistic knowledge about the cooperativity of atomically dispersed Rh−ReOx pairs on the γ-alumina support for the hydroformylation of ethylene to propanal. By considering a number of possible pre-catalyst complexes, we confirm that the most stable one is a Rh gem-dicarbonyl species, Rh(CO)2, which, contrary to the homogeneous Wilkinson complex, assumes a 16-electron square-planar geometry by coordinating to two alumina surface oxygen atoms. We find the weakening of the Rh−CO coordinative bonds with increasing ReOx loading, confirming an earlier experimental work. We develop mechanisms for two competing reactions, ethylene hydroformylation and hydrogenation, and show that they reproduce experimental observations and trends such as reaction kinetics and, most critically, the increase in hydroformylation selectivity in the presence of ReOx. In these mechanisms, the catalyst is activated by the dissociation of one of the two CO ligands of Rh(CO)2 to allow ethylene and H2 coordination, in that order, and we provide evidence that H2 dissociation on Rh is not oxidative. We determine the hydroformylation rate-limiting step and show that it depends on the local environment of Rh: in the absence of ReOx, the hydroformylation is controlled by the acylation step and requires octahedrally coordinated Rh, namely, re-binding of a CO ligand prior to the acylation; in the presence of ReOx, and owing to the weakening of the Rh−CO bonds, the requisite CO coordination prior to the insertion step becomes rate-controlling. We assert that ReOx steers the reaction toward propanal by impeding a critical rearrangement of the Rh ligands that favors the competing reaction, ethylene hydrogenation. KEYWORDS: hydroformylation, density-functional theory, single-atom catalysis, rhodium, heterogeneous, γ-alumina."},"meta":{},"created_at":"2023-11-20T15:20:07.069163Z","updated_at":"2023-12-11T08:25:19.938277Z","inner_id":14,"total_annotations":1,"cancelled_annotations":0,"total_predictions":0,"comment_count":0,"unresolved_comment_count":0,"last_comment_updated_at":null,"project":1,"updated_by":1,"comment_authors":[]},{"id":15,"annotations":[{"id":24,"completed_by":1,"result":[{"value":{"start":62,"end":69,"text":"styrene","labels":["Reactant"]},"id":"xFDXtOt_k7","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":70,"end":86,"text":"hydroformylation","labels":["Reaction"]},"id":"8b6H8wJh1E","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":138,"end":142,"text":"Rh2P","labels":["Catalyst"]},"id":"SeTXgFyFdH","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":193,"end":195,"text":"Co","labels":["Catalyst"]},"id":"V3ss-6K__t","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":284,"end":297,"text":"Rh7Co1P4\/SiO2","labels":["Catalyst"]},"id":"711g9G0Uc9","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":648,"end":663,"text":"Rh8−xCoxP4\/SiO2","labels":["Catalyst"]},"id":"1AkkMbTVyy","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":847,"end":854,"text":"styrene","labels":["Reactant"]},"id":"2aE2CoMRm9","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":1349,"end":1369,"text":"bimetallic phosphide","labels":["Catalyst"]},"id":"JPBPGfSEEP","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":35,"end":57,"text":"heterogeneous catalyst","labels":["Catalyst"]},"id":"LUoP6RTR9n","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":1389,"end":1411,"text":"heterogeneous catalyst","labels":["Catalyst"]},"id":"fYPMFbJvTB","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":1371,"end":1387,"text":"hydroformylation","labels":["Reaction"]},"id":"LM2WCEe9LM","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":1241,"end":1243,"text":"Co","labels":["Catalyst"]},"id":"xBFEAAtsHR","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":476,"end":478,"text":"Co","labels":["Catalyst"]},"id":"SjiTAbfmBX","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":1070,"end":1077,"text":"styrene","labels":["Reactant"]},"id":"7sgHVwKdvI","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":1413,"end":1420,"text":"styrene","labels":["Reactant"]},"id":"G427o-W-s9","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":1190,"end":1197,"text":"styrene","labels":["Reactant"]},"id":"3CLPTAleIX","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":762,"end":778,"text":"hydroformylation","labels":["Reaction"]},"id":"Jy3NxunL32","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":899,"end":901,"text":"Rh","labels":["Catalyst"]},"id":"8WF_ndhoy_","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":486,"end":489,"text":"DFT","labels":["Characterization"]},"id":"GHNqlMlqbx","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":515,"end":517,"text":"Co","labels":["Catalyst"]},"id":"b5eJ_irqA_","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":683,"end":685,"text":"Rh","labels":["Catalyst"]},"id":"v3oNVoQN9U","from_name":"label","to_name":"text","type":"labels","origin":"manual"}],"was_cancelled":false,"ground_truth":false,"created_at":"2023-11-20T17:42:07.949729Z","updated_at":"2023-11-21T13:03:35.505233Z","draft_created_at":"2023-11-20T17:40:00.821496Z","lead_time":809.041,"prediction":{},"result_count":0,"unique_id":"d9d8ce88-d933-4017-a03f-f56db6b2093d","import_id":null,"last_action":null,"task":15,"project":1,"updated_by":1,"parent_prediction":null,"parent_annotation":null,"last_created_by":null}],"file_upload":"e43b9ff1-labling.json","drafts":[],"predictions":[],"data":{"text":"The development of a highly active heterogeneous catalyst for styrene hydroformylation is a major challenge, and we previously found that Rh2P was a good candidate. By doping a second metal of Co, we further improved the activity by 1.7 times, and the highest TOF reached 2563 h−1 on Rh7Co1P4\/SiO2. The addition of Co tuned the electronic environment of surface Rh atoms without changing the crystal structure, and the reaction activity showed a volcano relationship with the Co ratio. DFT calculations showed that Co doping decreased the overall activation energy of surface reactions and destabilized H2 adsorption simultaneously. When x ≤ 2 for Rh8−xCoxP4\/SiO2 catalysts, surface Rh atoms had positive valence and H2 adsorption was exothermic. Therefore, the hydroformylation rate was mainly determined by surface reaction with a first order of styrene concentration. When x > 2, however, surface Rh atoms were negatively charged and H2 adsorption became thermodynamically unfavorable. The reaction activity was then determined by H2 adsorption and was independent of styrene concentration. We introduced δE, which was the sum of overall activation energy and H2 coadsorption energy with styrene, to predict activity. Moderate addition of Co decreased the value of δE and promoted the activity, while excessive doping would increase δE. KEYWORDS: bimetallic phosphide, hydroformylation, heterogeneous catalyst, styrene, density functional theory."},"meta":{},"created_at":"2023-11-20T15:21:29.018472Z","updated_at":"2023-12-11T08:25:25.743840Z","inner_id":15,"total_annotations":1,"cancelled_annotations":0,"total_predictions":0,"comment_count":0,"unresolved_comment_count":0,"last_comment_updated_at":null,"project":1,"updated_by":1,"comment_authors":[]},{"id":16,"annotations":[{"id":26,"completed_by":1,"result":[{"value":{"start":27,"end":59,"text":"heterogeneous hydro- 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The reaction rates of propylene for both hydroformylation and the undesired side reaction of hydrogenation were found to be about one order of magnitude lower than those for ethylene in flow reactor studies. The difference in the kinetic behavior between ethylene and propylene was investigated by measuring the reaction orders and apparent activation energies, and these macrokinetic observables were analyzed using the degree of rate control (DRC) method. In situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) experiments were performed to characterize the surface intermediates formed during the reactions. When the reactant was changed from ethylene to propylene, the IR peak corresponding to adsorbed CO exhibited a significant increase, while the IR peaks of the alkyl group decreased in magnitude. Combined with the DRIFTS results, DRC analysis indicates that the first step of olefin hydroformylation, the formation of an alkyl group on the catalyst surface, plays a key role in the difference between ethylene and propylene. This step is kinetically nonrelevant when ethylene is the reactant, but it is one of the rate-controlling steps for propylene. The low concentration of the adsorbed propyl group, which is a common intermediate shared by both hydroformylation and hydrogenation of propylene, decreases the rates of both reaction pathways as compared to ethylene. KEYWORDS: hydroformylation, ethylene, propylene, kinetics, degree of rate control."},"meta":{},"created_at":"2023-11-20T15:22:06.714340Z","updated_at":"2023-12-11T08:25:34.097878Z","inner_id":16,"total_annotations":1,"cancelled_annotations":0,"total_predictions":0,"comment_count":0,"unresolved_comment_count":0,"last_comment_updated_at":null,"project":1,"updated_by":1,"comment_authors":[]},{"id":17,"annotations":[{"id":28,"completed_by":1,"result":[{"value":{"start":49,"end":93,"text":"Rh2P nanoparticles on SiO2 support materials","labels":["Catalyst"]},"id":"VzgVK2FgLm","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":161,"end":177,"text":"hydroformylation","labels":["Reaction"]},"id":"JsfYJdQu3R","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":181,"end":189,"text":"ethylene","labels":["Reactant"]},"id":"WvQg-wNV46","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":194,"end":203,"text":"propylene","labels":["Reactant"]},"id":"XmYE8f1ZP0","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":272,"end":304,"text":"transmission electron microscopy","labels":["Characterization"]},"id":"fP6nMEaboQ","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":312,"end":344,"text":"infrared analysis of adsorbed CO","labels":["Characterization"]},"id":"U0hYJFxtS0","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":447,"end":463,"text":"hydroformylation","labels":["Reaction"]},"id":"yxzJuyAUSQ","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":496,"end":527,"text":"high throughput experimentation","labels":["Characterization"]},"id":"5NVbt7eAR9","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":788,"end":797,"text":"reduction","labels":["Treatment"]},"id":"-yFpQBCPOM","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":929,"end":945,"text":"hydroformylation","labels":["Reaction"]},"id":"EqqiVYH_d3","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":117,"end":152,"text":"heterogeneous single-site catalysts","labels":["Catalyst"]},"id":"V92t4loA0Z","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":232,"end":250,"text":"Rh2P nanoparticles","labels":["Catalyst"]},"id":"XZMaDVJ0U8","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":828,"end":846,"text":"Rh2P nanoparticles","labels":["Catalyst"]},"id":"gqXRi1bAKV","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":962,"end":969,"text":"rhodium","labels":["Catalyst"]},"id":"Ie_L-KzRc7","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":997,"end":1006,"text":"ethylene.","labels":["Reactant"]},"id":"fHYcU8n35o","from_name":"label","to_name":"text","type":"labels","origin":"manual"}],"was_cancelled":false,"ground_truth":false,"created_at":"2023-11-20T18:04:40.138588Z","updated_at":"2023-11-20T18:04:40.138588Z","draft_created_at":"2023-11-20T18:03:51.725787Z","lead_time":63.917,"prediction":{},"result_count":0,"unique_id":"5a3c0899-a847-4ecd-9395-997672db4317","import_id":null,"last_action":null,"task":17,"project":1,"updated_by":1,"parent_prediction":null,"parent_annotation":null,"last_created_by":null}],"file_upload":"3b1a33a5-labling.json","drafts":[],"predictions":[],"data":{"text":"A method for the synthesis of highly crystalline Rh2P nanoparticles on SiO2 support materials and their use as truly heterogeneous single-site catalysts for the hydroformylation of ethylene and propylene is presented. The supported Rh2P nanoparticles were investigated by transmission electron microscopy and by infrared analysis of adsorbed CO. The influence of feed gas composition and reaction temperature on the activity and selectivity in the hydroformylation reaction was evaluated by using high throughput experimentation as an enabling element; core findings were that beneficial effects on the selectivity were observed at high CO partial pressures and after addition of water to the feed gas. The analytical and performance data of the materials gave evidence that high temperature reduction leading to highly crystalline Rh2P nanoparticles is key to achieving active, selective, and long- term stable catalysts. KEYWORDS: hydroformylation, heterogeneous, rhodium, phosphide, nanoparticles, ethylene."},"meta":{},"created_at":"2023-11-20T15:22:38.329821Z","updated_at":"2023-12-11T08:25:40.423239Z","inner_id":17,"total_annotations":1,"cancelled_annotations":0,"total_predictions":0,"comment_count":0,"unresolved_comment_count":0,"last_comment_updated_at":null,"project":1,"updated_by":1,"comment_authors":[]},{"id":18,"annotations":[{"id":54,"completed_by":1,"result":[{"value":{"start":1438,"end":1457,"text":"pair site catalysts","labels":["Catalyst"]},"id":"C5_Ey5O7Hx","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":1383,"end":1413,"text":"atomically dispersed catalysts","labels":["Catalyst"]},"id":"vVKLGg7KJQ","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":1415,"end":1436,"text":"single atom catalysts","labels":["Catalyst"]},"id":"1NbMjTZsH3","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":1459,"end":1475,"text":"hydroformylation","labels":["Reaction"]},"id":"ueLrJtqp8C","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":862,"end":878,"text":"hydroformylation","labels":["Reaction"]},"id":"N5VoDO3tb3","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":853,"end":861,"text":"ethylene","labels":["Reactant"]},"id":"DxLTbSX_13","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":0,"end":52,"text":"Atomically dispersed late-transition-metal catalysts","labels":["Catalyst"]},"id":"EeyroMvWAD","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":473,"end":509,"text":"atomically dispersed ReOx on γ-Al2O3","labels":["Catalyst"]},"id":"ld8Y6_PRw6","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":562,"end":583,"text":"infrared spectroscopy","labels":["Characterization"]},"id":"PppQdITyIE","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":588,"end":650,"text":"aberration-corrected scanning transmission electron microscopy","labels":["Characterization"]},"id":"Ci_2ErjmcW","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":715,"end":719,"text":"ReOx","labels":["Catalyst"]},"id":"L8j7EvBqJI","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":740,"end":744,"text":"ReOx","labels":["Catalyst"]},"id":"OUFSo7Cb_5","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":768,"end":772,"text":"ReOx","labels":["Catalyst"]},"id":"t-y8XggJ1h","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":782,"end":789,"text":"Rh−ReOx","labels":["Catalyst"]},"id":"GOCploJHAF","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":916,"end":920,"text":"ReOx","labels":["Catalyst"]},"id":"WLFF_xtCNB","from_name":"label","to_name":"text","type":"labels","origin":"manual"}],"was_cancelled":false,"ground_truth":false,"created_at":"2023-11-21T12:08:27.291294Z","updated_at":"2023-11-21T12:08:27.291294Z","draft_created_at":"2023-11-21T12:02:38.583581Z","lead_time":338.644,"prediction":{},"result_count":0,"unique_id":"39f67eb6-a9e6-4435-a383-95a691dee5be","import_id":null,"last_action":null,"task":18,"project":1,"updated_by":1,"parent_prediction":null,"parent_annotation":null,"last_created_by":null}],"file_upload":"8260a3ed-labling.json","drafts":[],"predictions":[],"data":{"text":"Atomically dispersed late-transition-metal catalysts ex- hibit distinct catalytic reactivity and selectivity compared to metal clusters in many reactions. Realizing the potential benefits of these catalysts requires active site uniformity and control of their local environment. Here, we propose a catalyst synthesis route for manipulating the local environment of atomically dispersed metal-active sites. This was achieved via the targeted deposition of Rh precursors near atomically dispersed ReOx on γ-Al2O3 using electrostatic interactions. CO probe molecule infrared spectroscopy and aberration-corrected scanning transmission electron microscopy suggested that Rh could be preferentially located near a single ReOx species or multiple ReOx species by controlling ReOx loading. Rh−ReOx interactions promoted catalytic reactivity and selectivity for ethylene hydroformylation. Kinetic measurements suggested that ReOx species withdrew charge from Rh, weakening Rh−CO interactions, which promoted the concentration of vacant sites under reaction conditions and in turn catalytic reactivity. This work demonstrates a general synthetic approach for creating atomically dispersed heteroatom species consisting of oxophilic and late-transition metals and the importance of regulating the local environment of atomically dispersed metals for maximizing catalytic performance. KEYWORDS: atomically dispersed catalysts, single atom catalysts, pair site catalysts, hydroformylation, metal−support interactions."},"meta":{},"created_at":"2023-11-20T15:23:21.368069Z","updated_at":"2023-12-11T08:25:45.359033Z","inner_id":18,"total_annotations":1,"cancelled_annotations":0,"total_predictions":0,"comment_count":0,"unresolved_comment_count":0,"last_comment_updated_at":null,"project":1,"updated_by":1,"comment_authors":[]},{"id":19,"annotations":[{"id":56,"completed_by":1,"result":[{"value":{"start":0,"end":16,"text":"Hydroformylation","labels":["Reaction"]},"id":"Lb6dY8UctA","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":174,"end":190,"text":"hydroformylation","labels":["Reaction"]},"id":"RPMcrXolbN","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":395,"end":427,"text":"RhZn intermetallic nanoparticles","labels":["Catalyst"]},"id":"Nxx9ao7uaE","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":436,"end":452,"text":"hydroformylation","labels":["Reaction"]},"id":"OFyCWXOVWp","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":456,"end":463,"text":"styrene","labels":["Reactant"]},"id":"5lPfRMFG6H","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":552,"end":572,"text":"Wilkinson’s catalyst","labels":["Catalyst"]},"id":"sqFdqzWsze","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":626,"end":643,"text":"aldehyde products","labels":["Product"]},"id":"nfVGZlCsf9","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":645,"end":649,"text":"RhZn","labels":["Catalyst"]},"id":"tgm25Tz9LW","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":806,"end":810,"text":"RhZn","labels":["Catalyst"]},"id":"2oFlOevPqT","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":889,"end":905,"text":"hydroformylation","labels":["Reaction"]},"id":"POkreu4qKM","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":945,"end":958,"text":"pure Rh(111),","labels":["Catalyst"]},"id":"T0bmoyIIfy","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":1008,"end":1012,"text":"RhZn","labels":["Catalyst"]},"id":"th5Mxf8cmK","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":78,"end":99,"text":"homogeneous catalysts","labels":["Catalyst"]},"id":"fu6ztZeW3L","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":113,"end":135,"text":"heterogeneous catalyst","labels":["Catalyst"]},"id":"9oc0PN0jdo","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":363,"end":393,"text":"heterogeneous hydroformylation","labels":["Reaction"]},"id":"NVafAyvesD","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":677,"end":682,"text":"olefin","labels":["Reactant"]},"id":"P3ZktWS-wB","from_name":"label","to_name":"text","type":"labels","origin":"manual"}],"was_cancelled":false,"ground_truth":false,"created_at":"2023-11-21T13:21:08.136742Z","updated_at":"2023-11-21T13:21:08.136742Z","draft_created_at":"2023-11-21T13:20:59.851438Z","lead_time":17.569,"prediction":{},"result_count":0,"unique_id":"31d4110d-ab27-4dcd-a0f1-9b111662421b","import_id":null,"last_action":null,"task":19,"project":1,"updated_by":1,"parent_prediction":null,"parent_annotation":null,"last_created_by":null}],"file_upload":"b5afb0d7-labling.json","drafts":[],"predictions":[],"data":{"text":"Hydroformylation is an imperative chemical process traditionally catalyzed by homogeneous catalysts. Designing a heterogeneous catalyst with high activity and selectivity in hydroformylation is challenging but essential to allow the convenient separation and recycling of precious catalysts. Here, we report the development of an outstanding catalyst for efficient heterogeneous hydroformylation, RhZn intermetallic nanoparticles. In the hydroformylation of styrene, it shows three frequency (3090 h−1) compared to the benchmark times higher homogeneous Wilkinson’s catalyst (966 h−1), as well as a high chemoselectivity toward aldehyde products. RhZn is active for a variety of olefin substrates and can be recycled without a significant loss of activity. Density functional theory calculations show that the RhZn surfaces reduce the binding strength of reaction intermediates and have lower hydroformylation activation energy barriers compared to pure Rh(111), leading to more favorable reaction energetics on RhZn. The calculations also predict potential catalyst design strategies to achieve high regioselectivity."},"meta":{},"created_at":"2023-11-20T15:24:02.547956Z","updated_at":"2023-12-11T08:25:53.361219Z","inner_id":19,"total_annotations":1,"cancelled_annotations":0,"total_predictions":0,"comment_count":0,"unresolved_comment_count":0,"last_comment_updated_at":null,"project":1,"updated_by":1,"comment_authors":[]},{"id":20,"annotations":[{"id":32,"completed_by":1,"result":[{"value":{"start":77,"end":84,"text":"CoRh-HT","labels":["Catalyst"]},"id":"9c2RBW9EsC","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":14,"end":75,"text":"bimetallic cobalt–rhodium layered hydrotalcite-type materials","labels":["Catalyst"]},"id":"XOkpmdiaCl","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":186,"end":193,"text":"alkenes","labels":["Reactant"]},"id":"1OVTe9Os4c","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":197,"end":206,"text":"aldehydes","labels":["Product"]},"id":"yyKm5eKm9e","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":166,"end":182,"text":"hydroformylation","labels":["Reaction"]},"id":"UzKozKxs8H","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":269,"end":303,"text":"Co–Rh-based heterogeneous catalyst","labels":["Catalyst"]},"id":"ldJjp4wZQZ","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":554,"end":559,"text":"HRTEM","labels":["Characterization"]},"id":"49Dk3ypEzE","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":561,"end":585,"text":"powder X-ray diffraction","labels":["Characterization"]},"id":"EnmmCH9Qln","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":591,"end":623,"text":"X-ray photoelectron spectroscopy","labels":["Characterization"]},"id":"uPBxh7xSh8","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":236,"end":252,"text":"hydroformylation","labels":["Reaction"]},"id":"u7M96nM4Kj","from_name":"label","to_name":"text","type":"labels","origin":"manual"}],"was_cancelled":false,"ground_truth":false,"created_at":"2023-11-20T18:17:44.030015Z","updated_at":"2023-11-21T13:17:17.708257Z","draft_created_at":"2023-11-20T18:17:39.012333Z","lead_time":46.859,"prediction":{},"result_count":0,"unique_id":"0da089a6-22c2-47c6-b6f6-b492043ff083","import_id":null,"last_action":null,"task":20,"project":1,"updated_by":1,"parent_prediction":null,"parent_annotation":null,"last_created_by":null}],"file_upload":"4a8fae28-labling.json","drafts":[],"predictions":[],"data":{"text":"Unprecedented bimetallic cobalt–rhodium layered hydrotalcite-type materials (CoRh-HT) were successfully prepared and used as potential catalysts for highly selective hydroformylation of alkenes to aldehydes. 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Presence of Rh3+ along with Co2+ and Co3+ in the layered framework was confirmed based on various physicochemical studies such as HRTEM, powder X-ray diffraction, and X-ray photoelectron spectroscopy."},"meta":{},"created_at":"2023-11-20T15:24:28.891514Z","updated_at":"2023-12-11T08:26:00.777936Z","inner_id":20,"total_annotations":1,"cancelled_annotations":0,"total_predictions":0,"comment_count":0,"unresolved_comment_count":0,"last_comment_updated_at":null,"project":1,"updated_by":1,"comment_authors":[]},{"id":21,"annotations":[{"id":34,"completed_by":1,"result":[{"value":{"start":14,"end":30,"text":"hydroformylation","labels":["Reaction"]},"id":"I_vQhv5NxR","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":34,"end":40,"text":"ethene","labels":["Reactant"]},"id":"qQTZqJzwZc","from_name":"label","to_name":"text","type":"labels","origin":"manual"},{"value":{"start":127,"end":151,"text":"dealuminated BEA 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In situ IR spectroscopy and the kinetics of the catalytic reactions suggest that ethene hydroformylation is mainly catalyzed by atomically dispersed Rh that is influenced by Rh−M interactions, whereas ethene hydrogenation is mainly catalyzed by Rh nanoclusters. In situ IR spectroscopy also indicates that the ethene hydroformylation is rate limited by formation of propionyl groups and by their hydrogenation, a conclusion supported by the measured H\/D kinetic isotope effect. 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