DC Field | Value | Language |
---|---|---|
dc.contributor.author | HAYOUNG, SONG | - |
dc.contributor.author | Lee, E. | - |
dc.date.accessioned | 2022-06-23T04:40:34Z | - |
dc.date.available | 2022-06-23T04:40:34Z | - |
dc.date.created | 2021-11-28 | - |
dc.date.issued | 2021-09 | - |
dc.identifier.issn | 1861-4728 | - |
dc.identifier.uri | https://oasis.postech.ac.kr/handle/2014.oak/113128 | - |
dc.description.abstract | Dinitrogen activation in non-metallic systems has received considerable attention in recent years. Herein, we report the theoretical feasibility of N-2 fixation using aminocarbenes (L) or their anionic derivatives. The molecular descriptors of L and anionic L-, which affect the interaction of L and anionic L- with N-2, were identified through multiple linear regression analysis. Additionally, the electron flow during C-N bond formation was confirmed by performing intrinsic reaction coordination calculations with intrinsic bond orbital analysis for the reaction of anionic L- with N-2. | - |
dc.language | English | - |
dc.publisher | Wiley - V C H Verlag GmbbH & Co. | - |
dc.relation.isPartOf | Chemistry - An Asian Journal | - |
dc.title | Theoretical Assessment of Dinitrogen Fixation on Carbon Atom | - |
dc.type | Article | - |
dc.identifier.doi | 10.1002/asia.202100567 | - |
dc.type.rims | ART | - |
dc.identifier.bibliographicCitation | Chemistry - An Asian Journal, v.16, no.17, pp.2421 - 2425 | - |
dc.identifier.wosid | 000674241800001 | - |
dc.citation.endPage | 2425 | - |
dc.citation.number | 17 | - |
dc.citation.startPage | 2421 | - |
dc.citation.title | Chemistry - An Asian Journal | - |
dc.citation.volume | 16 | - |
dc.contributor.affiliatedAuthor | HAYOUNG, SONG | - |
dc.contributor.affiliatedAuthor | Lee, E. | - |
dc.identifier.scopusid | 2-s2.0-85110478281 | - |
dc.description.journalClass | 1 | - |
dc.description.journalClass | 1 | - |
dc.description.isOpenAccess | N | - |
dc.type.docType | Article | - |
dc.subject.keywordPlus | Carbon | - |
dc.subject.keywordPlus | Linear regression | - |
dc.subject.keywordPlus | Aminocarbenes | - |
dc.subject.keywordPlus | Bond formation | - |
dc.subject.keywordPlus | Bond orbitals | - |
dc.subject.keywordPlus | Dinitrogen activation | - |
dc.subject.keywordPlus | Electron flow | - |
dc.subject.keywordPlus | Intrinsic reaction | - |
dc.subject.keywordPlus | Molecular descriptors | - |
dc.subject.keywordPlus | Multiple linear regression analysis | - |
dc.subject.keywordPlus | Coordination reactions | - |
dc.subject.keywordAuthor | Carbene | - |
dc.subject.keywordAuthor | DFT calculation | - |
dc.subject.keywordAuthor | Dinitrogen | - |
dc.subject.keywordAuthor | N-heterocyclic carbene | - |
dc.subject.keywordAuthor | N2 fixation | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Multidisciplinary | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Chemistry | - |
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