Structural Characterization of [Zn(O2CAr4F-Ph)(2)(TAD)] and Determination of Its Stable Conformation by DFT Calculations
DC Field | Value | Language |
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dc.contributor.author | Kim, Namseok | - |
dc.contributor.author | Baek, Il Hyun | - |
dc.contributor.author | Yoon, Sungho | - |
dc.date.accessioned | 2021-06-18T08:44:09Z | - |
dc.date.available | 2021-06-18T08:44:09Z | - |
dc.date.issued | 2016-06 | - |
dc.identifier.issn | 0253-2964 | - |
dc.identifier.issn | 1229-5949 | - |
dc.identifier.uri | https://scholarworks.bwise.kr/cau/handle/2019.sw.cau/45675 | - |
dc.description.abstract | In the titled complex, [Zn(C19H11O2F2)(2)(C8H22N4)]center dot 0.5CH(2)Cl(2), the Zn2+ cation, with two axial carboxylate ligands, is located in a hexacoordinate ZnO2N4 environment. Two strong intra-molecular hydrogen-bonding interactions (C=O center dot center dot center dot H-N) between the carboxylate ligand and amine are observed, in addition to two weak intra-molecular interactions among the aromatic C-H moieties and oxygen atoms of the carboxylate ligand. An inter-molecular interaction is also detected between the aromatic C-H of the carboxylate ligand and the fluoro atom of the other carboxylate ligand. According to B3LYP/LANL2DZ calculations, the energy minimum of the title complex is achieved when the planes of the OCO moieties of the axial carboxylates are perpendicular, as observed in the crystal structure. | - |
dc.format.extent | 5 | - |
dc.language | 영어 | - |
dc.language.iso | ENG | - |
dc.publisher | WILEY-V C H VERLAG GMBH | - |
dc.title | Structural Characterization of [Zn(O2CAr4F-Ph)(2)(TAD)] and Determination of Its Stable Conformation by DFT Calculations | - |
dc.type | Article | - |
dc.identifier.doi | 10.1002/bkcs.10775 | - |
dc.identifier.bibliographicCitation | BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.37, no.6, pp 815 - 819 | - |
dc.identifier.kciid | ART002113917 | - |
dc.description.isOpenAccess | N | - |
dc.identifier.wosid | 000377648100009 | - |
dc.identifier.scopusid | 2-s2.0-84971265438 | - |
dc.citation.endPage | 819 | - |
dc.citation.number | 6 | - |
dc.citation.startPage | 815 | - |
dc.citation.title | BULLETIN OF THE KOREAN CHEMICAL SOCIETY | - |
dc.citation.volume | 37 | - |
dc.type.docType | Article | - |
dc.publisher.location | 독일 | - |
dc.subject.keywordAuthor | Bulky carboxylate | - |
dc.subject.keywordAuthor | Zinc dicarboxylate complex | - |
dc.subject.keywordAuthor | DFT calculations | - |
dc.subject.keywordPlus | M-TERPHENYLS | - |
dc.subject.keywordPlus | BICYCLAM | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Multidisciplinary | - |
dc.description.journalRegisteredClass | sci | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.description.journalRegisteredClass | kci | - |
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