期刊
INORGANICA CHIMICA ACTA
卷 504, 期 -, 页码 -出版社
ELSEVIER SCIENCE SA
DOI: 10.1016/j.ica.2020.119453
关键词
Silver(I); Semicoordination; pi-Complex; DFT calculations; Weak interactions
资金
- [18-73-00036]
- [19-73-00001]
- Russian Science Foundation [18-73-00036, 19-73-00001] Funding Source: Russian Science Foundation
A rare example of pentacoordinated silver(I) complex featured unconventional type of coordination of 8-phenylquinoline has been prepared. DFT calculations indicated that the silver(I) center forms two strong coordination bonds with the N atoms (21.8-29.8 kcal/mol) and an electrostatically provided bond with the triflate anion (the charges at the silver(I) center and the triflate O atom are estimated as +0.64 and -1.02 e, respectively). The coordination polyhedron is complemented by two semicoordination bonds with the C atoms of the phenyl rings (4.3-6.0 kcal/mol). These silver(I)-phenyl p-interactions are significantly stronger than such interactions observed previously for other systems exhibiting energy lower than 2 kcal/mol.
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