Issue 24, 1993

Calculated properties of the ‘empty’[AuPH3]2+4 and related systems: role of covalent and correlation contributions

Abstract

Quasirelativistic pseudopotential ab initio calculations on tetrahedral (AuPH3)2+4 reproduce the experimental Au–Au distance in [AuP(But)3]2+4 and suggest that covalent and correlation bonding in this two-electron, four-centre system are comparable.

Article information

Article type
Paper

J. Chem. Soc., Chem. Commun., 1993, 1812-1813

Calculated properties of the ‘empty’[AuPH3]2+4 and related systems: role of covalent and correlation contributions

P. Pyykkö and N. Runeberg, J. Chem. Soc., Chem. Commun., 1993, 1812 DOI: 10.1039/C39930001812

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