Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | 남원우 | * |
dc.contributor.author | 이용민 | * |
dc.contributor.author | Li Xiao Xi | * |
dc.date.accessioned | 2021-12-01T16:31:03Z | - |
dc.date.available | 2021-12-01T16:31:03Z | - |
dc.date.issued | 2021 | * |
dc.identifier.issn | 0253-2964 | * |
dc.identifier.issn | 1229-5949 | * |
dc.identifier.other | OAK-30515 | * |
dc.identifier.uri | https://dspace.ewha.ac.kr/handle/2015.oak/259643 | - |
dc.description.abstract | Density functional theory calculations were performed to study the Lewis acid (Sc3+) effects on the reactivity of ultrahigh-valent chromium-oxo species toward both C-H bond activation and sulfoxidation reactions. Calculations confirm that the oxidizing power of chromium-oxo species is enhanced by binding Sc3+ ion. In sulfoxidation reactions, especially, binding Sc3+ ion enhances the redox potential of the chromium-oxo species, whereby the activation barrier is decreased dramatically. The details of the reactions obtained by theory are disclosed in this work. | * |
dc.language | English | * |
dc.publisher | WILEY-V C H VERLAG GMBH | * |
dc.subject | DFT | * |
dc.subject | C-H bond activation | * |
dc.subject | high-valent chromium-oxo | * |
dc.subject | Lewis acid | * |
dc.subject | sulfoxidation | * |
dc.title | How does Lewis acid affect the reactivity of mononuclear high-valent chromium-oxo species? A theoretical study | * |
dc.type | Article | * |
dc.relation.issue | 11 | * |
dc.relation.volume | 42 | * |
dc.relation.index | SCIE | * |
dc.relation.index | SCOPUS | * |
dc.relation.index | KCI | * |
dc.relation.startpage | 1501 | * |
dc.relation.lastpage | 1505 | * |
dc.relation.journaltitle | BULLETIN OF THE KOREAN CHEMICAL SOCIETY | * |
dc.identifier.doi | 10.1002/bkcs.12397 | * |
dc.identifier.wosid | WOS:000696033200001 | * |
dc.author.google | Choi, Yunhee | * |
dc.author.google | Pandey, Bhawana | * |
dc.author.google | Li, Xiao-Xi | * |
dc.author.google | Lee, Yong-Min | * |
dc.author.google | Cho, Kyung-Bin | * |
dc.author.google | Nam, Wonwoo | * |
dc.contributor.scopusid | 남원우(7006569723) | * |
dc.contributor.scopusid | 이용민(36546331100;35233855500;57192113229) | * |
dc.contributor.scopusid | Li Xiao Xi(57195382472) | * |
dc.date.modifydate | 20240405125746 | * |