Abstract.
Pseudopotential ab initio calculations of several gold carbides, gold nitrides and their third-row analogues have been performed with the goal of finding species which contain triple bonds with gold. Multiple-bond character has been observed for Cl2AuCH and Cl2AuN. Bonding in these and related compounds is analysed and the reasons why gold prefers single bonds are outlined.
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Received: 8 September 1997 / Accepted: 11 December 1997
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Pyykkö, P., Tamm, T. Can triple bonds exist between gold and main-group elements?. Theor Chem Acc 99, 113–115 (1998). https://doi.org/10.1007/s002140050312
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DOI: https://doi.org/10.1007/s002140050312