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三(膦鎓)甲烷二价阳离子[(PhP)CP(X)Ph](X = H、Me、CN、NCS、OH、Cl、OTf、F)中的给体-受体相互作用

Donor-acceptor interactions in tri(phosphonio)methanide dications [(PhP)CP(X)Ph] (X = H, Me, CN, NCS, OH, Cl, OTf, F).

作者信息

Yogendra S, Hennersdorf F, Bauzá A, Frontera A, Fischer R, Weigand J J

机构信息

Department of Chemistry and Food Chemistry, TU Dresden, 01062 Dresden, Germany.

出版信息

Dalton Trans. 2017 Nov 14;46(44):15503-15511. doi: 10.1039/c7dt03271d.

DOI:10.1039/c7dt03271d
PMID:29090714
Abstract

The impact of the strongly electron donating carbodiphosphorane moiety in the series of tri(phosphonio)methanide dications as triflate salts [(PhP)CP(X)Ph][OTf] (X = H, Me, CN, NCS, OH, Cl, OTf, F) deriving from [(PhP)CPPh][OTf] (19[OTf]) is presented. The influence of the introduced substituents X on the electronic structures of these dications is investigated by means of detailed NBO analysis, NMR spectroscopy and X-ray analysis.

摘要

本文介绍了源自[(PhP)CPPh][OTf](19[OTf])的三(膦鎓)甲烷二价阳离子系列三氟甲磺酸盐[(PhP)CP(X)Ph][OTf](X = H、Me、CN、NCS、OH、Cl、OTf、F)中强供电子碳二磷烯部分的影响。通过详细的自然键轨道(NBO)分析、核磁共振光谱和X射线分析,研究了引入的取代基X对这些二价阳离子电子结构的影响。

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