Observation of carbonyl oxygen–π interaction in a metal complex

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• 作者：Michael G.B. Drew ; Senjuti De ; Samik Nag ; Dipankar Datta
• 关键词：Silver ; N ; N ; O ligand ; Crystal structures ; Weak interactions ; MP2 calculations
• 刊名：Inorganica Chimica Acta
• 出版年：2009
• 出版时间：20 January 2009
• 年：2009
• 卷：362
• 期：2
• 页码：610-613
• 全文大小：329 K

文摘

X-ray crystallography shows that [Ag₂L₂(H₂O)₂](BF₄)₂ where L is a 1:1 condensate of 1,2-diphenylethane-1,2-dione and 2-(2-aminoethyl pyridine), contains an Ag(I)–Ag(I) bond of length 2.979(2) Å and an angular, intraligand interaction of the keto O with the π cloud of the pyridine moiety (O-pyridine centroid = 3.12 Å). Model MP2/6-311++G(d,p) calculations indicate that the observed lone pair–π type interaction is stabilising and not merely a tolerated short contact.