{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,29]],"date-time":"2026-09-29T07:25:16Z","timestamp":1790666716725,"version":"4.1.0"},"reference-count":111,"publisher":"American Chemical Society (ACS)","issue":"44","funder":[{"DOI":"10.13039\/501100003329","name":"Ministerio de Econom?a y Competitividad","doi-asserted-by":"publisher","award":["CTQ2017-87269-P"],"award-info":[{"award-number":["CTQ2017-87269-P"]}],"id":[{"id":"10.13039\/501100003329","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003329","name":"Ministerio de Econom?a y Competitividad","doi-asserted-by":"publisher","award":["UNRV15- EE-3935"],"award-info":[{"award-number":["UNRV15- EE-3935"]}],"id":[{"id":"10.13039\/501100003329","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004543","name":"China Scholarship Council","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100004543","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002809","name":"Generalitat de Catalunya","doi-asserted-by":"publisher","award":["2017SGR629"],"award-info":[{"award-number":["2017SGR629"]}],"id":[{"id":"10.13039\/501100002809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003741","name":"Instituci? Catalana de Recerca i Estudis Avan?ats","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100003741","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100007512","name":"Universitat Rovira i Virgili","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100007512","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Am. Chem. Soc."],"published-print":{"date-parts":[[2018,11,7]]},"DOI":"10.1021\/jacs.8b09048","type":"journal-article","created":{"date-parts":[[2018,10,16]],"date-time":"2018-10-16T20:03:39Z","timestamp":1539720219000},"page":"14903-14914","source":"Crossref","is-referenced-by-count":41,"title":["Modeling the Oxygen Vacancy at a Molecular Vanadium(III) Silica-Supported Catalyst"],"prefix":"10.1021","volume":"140","author":[{"given":"Teng","family":"Zhang","sequence":"first","affiliation":[{"name":"Sorbonne Universit\u00e9, CNRS, Institut Parisien de Chimie Mol\u00e9culaire, IPCM, 4 place Jussieu, F-75005 Paris, France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Albert","family":"Sol\u00e9-Daura","sequence":"additional","affiliation":[{"name":"Department de Qu\u00edmica F\u00edsica i Inorg\u00e0nica, Universitat Rovira i Virgili, Marcel\u00b7l\u00ed Domingo 1, 43007 Tarragona, Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sarah","family":"Hostachy","sequence":"additional","affiliation":[{"name":"Sorbonne Universit\u00e9, CNRS, Institut Parisien de Chimie Mol\u00e9culaire, IPCM, 4 place Jussieu, F-75005 Paris, France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"S\u00e9bastien","family":"Blanchard","sequence":"additional","affiliation":[{"name":"Sorbonne Universit\u00e9, CNRS, Institut Parisien de Chimie Mol\u00e9culaire, IPCM, 4 place Jussieu, F-75005 Paris, France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"C\u00e9line","family":"Paris","sequence":"additional","affiliation":[{"name":"Sorbonne Universit\u00e9, CNRS, De la Mol\u00e9cule aux Nano-objets: R\u00e9activit\u00e9, Interactions et Spectroscopies, MONARIS, 4 place Jussieu, F-75005 Paris, France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yanling","family":"Li","sequence":"additional","affiliation":[{"name":"Sorbonne Universit\u00e9, CNRS, Institut Parisien de Chimie Mol\u00e9culaire, IPCM, 4 place Jussieu, F-75005 Paris, France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3945-6721","authenticated-orcid":true,"given":"Jorge J.","family":"Carb\u00f3","sequence":"additional","affiliation":[{"name":"Department de Qu\u00edmica F\u00edsica i Inorg\u00e0nica, Universitat Rovira i Virgili, Marcel\u00b7l\u00ed Domingo 1, 43007 Tarragona, Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4533-0623","authenticated-orcid":true,"given":"Josep M.","family":"Poblet","sequence":"additional","affiliation":[{"name":"Department de Qu\u00edmica F\u00edsica i Inorg\u00e0nica, Universitat Rovira i Virgili, Marcel\u00b7l\u00ed Domingo 1, 43007 Tarragona, Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Anna","family":"Proust","sequence":"additional","affiliation":[{"name":"Sorbonne Universit\u00e9, CNRS, Institut Parisien de Chimie Mol\u00e9culaire, IPCM, 4 place Jussieu, F-75005 Paris, France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2711-8514","authenticated-orcid":true,"given":"Geoffroy","family":"Guillemot","sequence":"additional","affiliation":[{"name":"Sorbonne Universit\u00e9, CNRS, Institut Parisien de Chimie Mol\u00e9culaire, IPCM, 4 place Jussieu, F-75005 Paris, France"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2018,10,16]]},"reference":[{"key":"ref1\/cit1","volume-title":"Principles and Practice of Heterogeneous Catalysis","author":"Thomas J. M.","year":"2014","edition":"2"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1021\/ar2001342"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemmater.6b02118"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1016\/j.cattod.2004.12.019"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1016\/S0920-5861(02)00323-1"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1016\/S0010-8545(02)00308-9"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201107020"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1006\/jcat.2002.3570"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1006\/jcat.2001.3473"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1016\/j.jcat.2004.06.002"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/cs5003417"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/jp073826x"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/jp8078056"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1016\/j.jcat.2012.09.008"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.7b03327"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/ic902392y"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/ic00008a005"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1039\/c2cs35148j"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1039\/C5CC10447E"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1039\/b715502f"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/cr1000578"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1039\/c2cs35119f"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1002\/anie.199619611"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.5b01878"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.8b00256"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/jp014695h"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/ja00189a012"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/cr960403a"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1016\/j.molcata.2006.08.066"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1021\/la503889j"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1039\/C5EE03503A"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1021\/ic0206802"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1021\/ja209360x"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1039\/c3sc21998d"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1021\/cr940053x"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1039\/c39910000762"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.8b05298"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201706828"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1016\/0277-5387(95)85014-7"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1021\/ic101968s"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1021\/ar950195t"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1021\/ic5017005"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1007\/s10562-007-9382-4"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1021\/jp014695h"},{"key":"ref45\/cit45","unstructured":"Cummins, C. C. In  Prog. Inorg. Chem.; Karlin, K. D., Ed. Wiley and Sons: New York, 1998; Vol. 47, p 685."},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1021\/ja309621h"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1021\/ic961168h"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1016\/S0277-5387(00)81474-6"},{"key":"ref49\/cit49","volume-title":"Polyoxometalate Mol. Sci.","author":"Pope M. T.","year":"2003"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1021\/cr960392l"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1021\/ja00270a040"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1039\/DT9880000183"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1021\/ja003563j"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1021\/ic50085a045"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1021\/ic50085a046"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1039\/c3ee40352a"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201303126"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201605021"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1021\/ic50144a042"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1016\/S0022-0728(02)00901-4"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1039\/c003248d"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1039\/C5DT01530H"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1039\/c2cs35168d"},{"key":"ref64\/cit64","first-page":"287","volume-title":"Adv. Inorg. Chem.","volume":"69","author":"Errington R. J.","year":"2017"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1021\/ic951231n"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1021\/ic9703641"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1021\/ic0005285"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1007\/s10876-006-0048-y"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1039\/DT9950002521"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1002\/1099-0682(200011)2000:11<2393::AID-EJIC2393>3.0.CO;2-G"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1039\/c2cc17670j"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1021\/acs.inorgchem.7b00650"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1021\/j100133a020"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1006\/jcat.1997.1742"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1021\/cm800095g"},{"key":"ref76\/cit76","doi-asserted-by":"crossref","first-page":"149","DOI":"10.1002\/9780470405840.ch2","volume-title":"Infrared and Raman Spectra of Inorganic and Coordination Compounds","author":"Nakamoto K.","year":"2008"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1021\/cm990350o"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1016\/S0010-8545(01)00437-4"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1021\/j100107a010"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1021\/ja00361a012"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1021\/ic50164a046"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1016\/j.ccr.2009.09.031"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1021\/ic990017m"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1002\/ejic.200700413"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1126\/science.228.4699.533"},{"key":"ref86\/cit86","doi-asserted-by":"publisher","DOI":"10.1007\/s11244-006-0124-4"},{"key":"ref87\/cit87","doi-asserted-by":"publisher","DOI":"10.1002\/ejic.201400088"},{"key":"ref88\/cit88","doi-asserted-by":"crossref","DOI":"10.1007\/978-3-662-12004-0","volume-title":"Heteropoly and Isopoly Oxometalates","volume":"8","author":"Pope M. T.","year":"1983"},{"key":"ref89\/cit89","doi-asserted-by":"publisher","DOI":"10.1021\/ja00231a019"},{"key":"ref90\/cit90","doi-asserted-by":"publisher","DOI":"10.1021\/ja00052a039"},{"key":"ref91\/cit91","doi-asserted-by":"publisher","DOI":"10.1021\/ja00128a014"},{"key":"ref92\/cit92","doi-asserted-by":"publisher","DOI":"10.1021\/jp952228s"},{"key":"ref93\/cit93","doi-asserted-by":"publisher","DOI":"10.1039\/C7NJ01096F"},{"key":"ref94\/cit94","doi-asserted-by":"publisher","DOI":"10.1021\/ja027806e"},{"key":"ref95\/cit95","doi-asserted-by":"publisher","DOI":"10.1002\/chem.200305628"},{"key":"ref96\/cit96","doi-asserted-by":"publisher","DOI":"10.1021\/ct5010005"},{"key":"ref97\/cit97","doi-asserted-by":"publisher","DOI":"10.1021\/acs.inorgchem.7b00991"},{"key":"ref98\/cit98","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2006.06.050"},{"key":"ref99\/cit99","doi-asserted-by":"publisher","DOI":"10.1039\/B810634G"},{"key":"ref100\/cit100","doi-asserted-by":"publisher","DOI":"10.1002\/zfch.19740140116"},{"key":"ref101\/cit101","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmr.2005.08.013"},{"key":"ref102\/cit102","unstructured":"Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Nakatsuji, H.; Caricato, M.; Li, X.; Hratchian, H. P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, J. A., Jr.; Peralta, J. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E.; Kudin, K. N.; Staroverov, V. N.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Rega, N.; Millam, J. M.; Klene, M.; Knox, J. E.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Zakrzewski, V. G.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Dapprich, S.; Daniels, A. D.; Farkas, \u00d6.; Foresman, J. B.; Ortiz, J. V.; Cioslowski, J.; Fox, D. J. Gaussian 09; Gaussian Inc.: Wallingford, CT, 2009."},{"key":"ref103\/cit103","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.37.785"},{"key":"ref104\/cit104","doi-asserted-by":"publisher","DOI":"10.1063\/1.464913"},{"key":"ref105\/cit105","doi-asserted-by":"publisher","DOI":"10.1021\/j100096a001"},{"key":"ref106\/cit106","doi-asserted-by":"publisher","DOI":"10.1063\/1.474659"},{"key":"ref107\/cit107","doi-asserted-by":"publisher","DOI":"10.1063\/1.448799"},{"key":"ref108\/cit108","doi-asserted-by":"publisher","DOI":"10.1063\/1.444267"},{"key":"ref109\/cit109","doi-asserted-by":"publisher","DOI":"10.1063\/1.1677527"},{"key":"ref110\/cit110","doi-asserted-by":"publisher","DOI":"10.1007\/BF00533485"},{"key":"ref111\/cit111","doi-asserted-by":"publisher","DOI":"10.1021\/ci500593j"}],"container-title":["Journal of the American Chemical Society"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/jacs.8b09048","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,23]],"date-time":"2023-04-23T10:38:31Z","timestamp":1682246311000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/jacs.8b09048"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2018,10,16]]},"references-count":111,"journal-issue":{"issue":"44","published-print":{"date-parts":[[2018,11,7]]}},"alternative-id":["10.1021\/jacs.8b09048"],"URL":"https:\/\/doi.org\/10.1021\/jacs.8b09048","relation":{},"ISSN":["0002-7863","1520-5126"],"issn-type":[{"value":"0002-7863","type":"print"},{"value":"1520-5126","type":"electronic"}],"subject":[],"published":{"date-parts":[[2018,10,16]]}}}