4.6 Article

Calculated structures of [Au=C=Au]2+ and related systems

Journal

CHEMICAL PHYSICS LETTERS
Volume 381, Issue 1-2, Pages 45-52

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ELSEVIER
DOI: 10.1016/j.cplett.2003.09.045

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Calculated structures are reported for the mass-spectroscopically observed CAu22+ and CAu3+. Linear D-infinityh and D-3h geometries are obtained, respectively. The calculated properties of other multiply-bonded species, notably PtCPt, PtCCCPt and AuCCAu are reported. The Au+ and Pt function in these systems as chemical analogues to O. Further ligands are not needed for such 'autogenic isolobality'. (C) 2003 Elsevier B.V. All rights reserved.

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