{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T08:02:30Z","timestamp":1782892950436,"version":"3.54.5"},"reference-count":50,"publisher":"Royal Society of Chemistry (RSC)","issue":"18","license":[{"start":{"date-parts":[[2025,4,9]],"date-time":"2025-04-09T00:00:00Z","timestamp":1744156800000},"content-version":"am","delay-in-days":464,"URL":"http:\/\/rsc.li\/journals-terms-of-use"}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Org. Biomol. Chem."],"abstract":"<jats:p>\n                    The DDQ-catalytic mechanisms for constructing C\u2013O bonds\n                    <jats:italic>via<\/jats:italic>\n                    H\n                    <jats:sub>2<\/jats:sub>\n                    O and CH\n                    <jats:sub>3<\/jats:sub>\n                    OH as oxygen sources have been investigated with DFT.\n                  <\/jats:p>","DOI":"10.1039\/d4ob00346b","type":"journal-article","created":{"date-parts":[[2024,4,9]],"date-time":"2024-04-09T04:20:47Z","timestamp":1712636447000},"page":"3693-3707","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":6,"title":["DFT investigation of the DDQ-catalytic mechanism for constructing C\u2013O bonds"],"prefix":"10.1039","volume":"22","author":[{"given":"Xiu-Fang","family":"Zheng","sequence":"first","affiliation":[{"name":"Chemical Synthesis and Pollution Control Key Laboratory of Sichuan Province, College of Chemistry and Chemical Engineering, China West Normal University, Nanchong, People's Republic of China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2889-1349","authenticated-orcid":false,"given":"Da-Gang","family":"Zhou","sequence":"additional","affiliation":[{"name":"Chemical Synthesis and Pollution Control Key Laboratory of Sichuan Province, College of Chemistry and Chemical Engineering, China West Normal University, Nanchong, People's Republic of China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Li-Jun","family":"Yang","sequence":"additional","affiliation":[{"name":"Chemical Synthesis and Pollution Control Key Laboratory of Sichuan Province, College of Chemistry and Chemical Engineering, China West Normal University, Nanchong, People's Republic of China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2024]]},"reference":[{"key":"D4OB00346B\/cit1\/1","doi-asserted-by":"publisher","first-page":"4073","DOI":"10.1021\/cr200111v","volume":"111","author":"Turner","year":"2011","journal-title":"Chem. Rev."},{"issue":"14","key":"D4OB00346B\/cit2\/1","doi-asserted-by":"publisher","first-page":"5075","DOI":"10.1021\/jo900600m","volume":"74","author":"Niu","year":"2009","journal-title":"J. Org. Chem."},{"key":"D4OB00346B\/cit3\/1","doi-asserted-by":"publisher","first-page":"9067","DOI":"10.1021\/acs.joc.8b01183","volume":"83","author":"Oswald","year":"2018","journal-title":"J. Org. Chem."},{"key":"D4OB00346B\/cit4\/1","doi-asserted-by":"publisher","first-page":"395","DOI":"10.1021\/acs.jpca.9b10662","volume":"124","author":"Zhou","year":"2020","journal-title":"J. Phys. Chem. A"},{"key":"D4OB00346B\/cit5\/1","doi-asserted-by":"publisher","first-page":"658","DOI":"10.1002\/anie.201909983","volume":"59","author":"Huang","year":"2020","journal-title":"Angew. Chem., Int. Ed."},{"key":"D4OB00346B\/cit6\/1","doi-asserted-by":"publisher","first-page":"6940","DOI":"10.1002\/anie.201802563","volume":"57","author":"Biberger","year":"2018","journal-title":"Angew. Chem., Int. Ed."},{"key":"D4OB00346B\/cit7\/1","doi-asserted-by":"publisher","first-page":"454","DOI":"10.1039\/c9cc07072a","volume":"56","author":"Chen","year":"2020","journal-title":"Chem. Commun."},{"key":"D4OB00346B\/cit8\/1","doi-asserted-by":"publisher","first-page":"2925","DOI":"10.1021\/acs.joc.5b00167","volume":"80","author":"Dong","year":"2015","journal-title":"J. Org. Chem."},{"key":"D4OB00346B\/cit9\/1","doi-asserted-by":"publisher","first-page":"5650","DOI":"10.1002\/ejoc.201900773","author":"Pan","year":"2019","journal-title":"Eur. J. Org. Chem."},{"key":"D4OB00346B\/cit10\/1","doi-asserted-by":"publisher","first-page":"5305","DOI":"10.1021\/acs.joc.1c00302","volume":"86","author":"Wang","year":"2021","journal-title":"J. Org. Chem."},{"key":"D4OB00346B\/cit11\/1","doi-asserted-by":"publisher","first-page":"2732","DOI":"10.1080\/00397911.2021.1955931","volume":"51","author":"Yu","year":"2021","journal-title":"Synth. Commun."},{"key":"D4OB00346B\/cit12\/1","doi-asserted-by":"publisher","first-page":"1580","DOI":"10.1021\/acs.orglett.8b00325","volume":"20","author":"Zhang","year":"2018","journal-title":"Org. Lett."},{"key":"D4OB00346B\/cit13\/1","doi-asserted-by":"publisher","first-page":"e202200148","DOI":"10.1002\/ejoc.202200148","author":"Bhuyan","year":"2022","journal-title":"Eur. J. Org. Chem."},{"key":"D4OB00346B\/cit14\/1","doi-asserted-by":"publisher","first-page":"3443","DOI":"10.1021\/acscatal.0c05511","volume":"11","author":"Zhang","year":"2021","journal-title":"ACS Catal."},{"key":"D4OB00346B\/cit15\/1","doi-asserted-by":"publisher","first-page":"619","DOI":"10.1002\/ajoc.202000679","volume":"10","author":"Yang","year":"2021","journal-title":"Asian J. Org. Chem."},{"key":"D4OB00346B\/cit16\/1","doi-asserted-by":"publisher","first-page":"4777","DOI":"10.1021\/acs.joc.2c00059","volume":"87","author":"Mandal","year":"2022","journal-title":"J. Org. Chem."},{"key":"D4OB00346B\/cit17\/1","doi-asserted-by":"publisher","first-page":"5368","DOI":"10.1021\/ja402303k","volume":"135","author":"Ohkubo","year":"2013","journal-title":"J. Am. Chem. Soc."},{"issue":"18","key":"D4OB00346B\/cit18\/1","doi-asserted-by":"publisher","first-page":"2881","DOI":"10.1002\/cctc.201600704","volume":"8","author":"Rusch","year":"2016","journal-title":"ChemCatChem"},{"key":"D4OB00346B\/cit19\/1","doi-asserted-by":"publisher","first-page":"130516","DOI":"10.1016\/j.tet.2019.130516","volume":"75","author":"Zhang","year":"2019","journal-title":"Tetrahedron"},{"key":"D4OB00346B\/cit20\/1","doi-asserted-by":"publisher","first-page":"29826","DOI":"10.1039\/d1ra04575j","volume":"11","author":"Alsharif","year":"2021","journal-title":"RSC Adv."},{"key":"D4OB00346B\/cit21\/1","doi-asserted-by":"publisher","first-page":"4793","DOI":"10.1016\/j.tet.2011.05.030","volume":"67","author":"Mo","year":"2011","journal-title":"Tetrahedron"},{"key":"D4OB00346B\/cit22\/1","doi-asserted-by":"publisher","first-page":"9021","DOI":"10.1039\/c8ob02590h","volume":"16","author":"Gouranourimi","year":"2018","journal-title":"Org. Biomol. Chem."},{"key":"D4OB00346B\/cit23\/1","doi-asserted-by":"publisher","first-page":"1245","DOI":"10.6023\/a14120888","volume":"73","author":"Lu","year":"2015","journal-title":"Acta Chim. Sin."},{"key":"D4OB00346B\/cit25\/1","doi-asserted-by":"publisher","first-page":"215","DOI":"10.1007\/s00214-007-0310-x","volume":"120","author":"Zhao","year":"2007","journal-title":"Theor. Chem. Acc."},{"key":"D4OB00346B\/cit26\/1","doi-asserted-by":"publisher","first-page":"332","DOI":"10.1039\/D0CY01768J","volume":"11","author":"Wang","year":"2021","journal-title":"Catal. Sci. Technol."},{"key":"D4OB00346B\/cit27\/1","doi-asserted-by":"publisher","first-page":"293","DOI":"10.1002\/asia.201801583","volume":"14","author":"Wang","year":"2019","journal-title":"Chem. \u2013 Asian J."},{"key":"D4OB00346B\/cit28\/1","doi-asserted-by":"publisher","first-page":"4229","DOI":"10.1039\/C8CY01272E","volume":"8","author":"Wang","year":"2018","journal-title":"Catal. Sci. Technol."},{"key":"D4OB00346B\/cit29\/1","doi-asserted-by":"publisher","first-page":"13043","DOI":"10.1021\/acs.joc.7b01992","volume":"82","author":"Wang","year":"2017","journal-title":"J. Org. Chem."},{"key":"D4OB00346B\/cit30\/1","doi-asserted-by":"publisher","first-page":"465","DOI":"10.1039\/C8CY02238K","volume":"9","author":"Wang","year":"2019","journal-title":"Catal. Sci. Technol."},{"key":"D4OB00346B\/cit31\/1","doi-asserted-by":"publisher","first-page":"110661","DOI":"10.1016\/j.chemphys.2019.110661","volume":"531","author":"Zhou","year":"2020","journal-title":"Chem. Phys."},{"key":"D4OB00346B\/cit32\/1","doi-asserted-by":"publisher","first-page":"e3932","DOI":"10.1002\/poc.3932","volume":"32","author":"Zhou","year":"2019","journal-title":"J. Phys. Org. Chem."},{"key":"D4OB00346B\/cit33\/1","doi-asserted-by":"publisher","first-page":"144","DOI":"10.1016\/j.comptc.2017.09.003","volume":"1118","author":"Zhou","year":"2017","journal-title":"Comput. Theor. Chem."},{"key":"D4OB00346B\/cit34\/1","doi-asserted-by":"publisher","first-page":"111246","DOI":"10.1016\/j.mcat.2020.111246","volume":"498","author":"Zhou","year":"2020","journal-title":"Mol. Catal."},{"key":"D4OB00346B\/cit35\/1","doi-asserted-by":"publisher","first-page":"113523","DOI":"10.1016\/j.comptc.2021.113523","volume":"1207","author":"Zheng","year":"2022","journal-title":"Comput. Theor. Chem."},{"key":"D4OB00346B\/cit36\/1","doi-asserted-by":"publisher","first-page":"2739","DOI":"10.1039\/C8QO00716K","volume":"5","author":"Shi","year":"2018","journal-title":"Org. Chem. Front."},{"key":"D4OB00346B\/cit37\/1","doi-asserted-by":"publisher","first-page":"1983","DOI":"10.1039\/D1QO00036E","volume":"8","author":"Zhang","year":"2021","journal-title":"Org. Chem. Front."},{"key":"D4OB00346B\/cit38\/1","doi-asserted-by":"publisher","first-page":"95","DOI":"10.1021\/acs.jpcb.2c03161","volume":"127","author":"Zhang","year":"2023","journal-title":"J. Phys. Chem. B"},{"key":"D4OB00346B\/cit39\/1","doi-asserted-by":"publisher","first-page":"4250","DOI":"10.1021\/acscatal.2c06355","volume":"13","author":"Yang","year":"2023","journal-title":"ACS Catal."},{"key":"D4OB00346B\/cit40\/1","doi-asserted-by":"publisher","first-page":"612","DOI":"10.1021\/acscatal.2c05373","volume":"13","author":"Wang","year":"2022","journal-title":"ACS Catal."},{"key":"D4OB00346B\/cit41\/1","doi-asserted-by":"publisher","first-page":"2155","DOI":"10.1039\/D3QO00192J","volume":"10","author":"Shi","year":"2023","journal-title":"Org. Chem. Front."},{"key":"D4OB00346B\/cit42\/1","doi-asserted-by":"publisher","first-page":"25","DOI":"10.1007\/s00214-019-2541-z","volume":"139","author":"Lu","year":"2020","journal-title":"Theor. Chem. Acc."},{"key":"D4OB00346B\/cit43\/1","doi-asserted-by":"publisher","first-page":"51","DOI":"10.1016\/S0166-1280(00)00477-2","volume":"527","author":"Schmider","year":"2000","journal-title":"J. Mol. Struct.: THEOCHEM"},{"key":"D4OB00346B\/cit44\/1","doi-asserted-by":"publisher","first-page":"461","DOI":"10.1016\/j.carbon.2020.05.023","volume":"165","author":"Liu","year":"2020","journal-title":"Carbon"},{"key":"D4OB00346B\/cit45\/1","doi-asserted-by":"publisher","first-page":"580","DOI":"10.1002\/jcc.22885","volume":"33","author":"Lu","year":"2012","journal-title":"J. Comput. Chem."},{"key":"D4OB00346B\/cit46\/1","doi-asserted-by":"publisher","first-page":"431","DOI":"10.1021\/acs.joc.7b02333","volume":"83","author":"Hofmann","year":"2018","journal-title":"J. Org. Chem."},{"key":"D4OB00346B\/cit47\/1","doi-asserted-by":"publisher","first-page":"3681","DOI":"10.1039\/c8sc05476b","volume":"10","author":"Li","year":"2019","journal-title":"Chem. Sci."},{"key":"D4OB00346B\/cit48\/1","doi-asserted-by":"publisher","first-page":"2766","DOI":"10.1002\/ejoc.202000337","author":"Sheridan","year":"2020","journal-title":"Eur. J. Org. Chem."},{"key":"D4OB00346B\/cit49\/1","doi-asserted-by":"publisher","first-page":"1390","DOI":"10.1021\/acs.jpca.9b07858","volume":"124","author":"Kucur","year":"2020","journal-title":"J. Phys. Chem. A"},{"key":"D4OB00346B\/cit50\/1","doi-asserted-by":"publisher","first-page":"298","DOI":"10.1016\/j.pdpdt.2017.07.008","volume":"19","author":"S\u00e1nchez","year":"2017","journal-title":"Photodiagn. Photodyn. Ther."},{"key":"D4OB00346B\/cit51\/1","doi-asserted-by":"publisher","first-page":"1394","DOI":"10.1007\/s00214-013-1394-0","volume":"132","author":"Messaoudi","year":"2013","journal-title":"Theor. Chem. Acc."}],"container-title":["Organic &amp; Biomolecular Chemistry"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2024\/OB\/D4OB00346B","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T06:08:53Z","timestamp":1782886133000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/ob\/article\/22\/18\/3693-3707\/861134"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024]]},"references-count":50,"journal-issue":{"issue":"18","published-print":{"date-parts":[[2024,5,8]]}},"URL":"https:\/\/doi.org\/10.1039\/d4ob00346b","relation":{},"ISSN":["1477-0520","1477-0539"],"issn-type":[{"value":"1477-0520","type":"print"},{"value":"1477-0539","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024]]}}}