Observation of carbonyl oxygen-pi interaction in a metal complex

Drew, M. G. B., De, S., Nag, S. and Datta, D. (2009) Observation of carbonyl oxygen-pi interaction in a metal complex. Inorganica Chimica Acta, 362 (2). pp. 610-613. ISSN 0020-1693 doi: 10.1016/j.ica.2008.04.016

Abstract/Summary

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) angstrom and an angular, intraligand interaction of the keto O with the pi cloud of the pyridine moiety (O-pyridine centroid = 3.12 angstrom). Model MP2/6-311++G(d,p) calculations indicate that the observed lone pair-pi type interaction is stabilising and not merely a tolerated short contact. (C) 2008 Elsevier B.V. All rights reserved.