Calculated properties of the ‘empty’[AuPH3]2+4and related systems: role of covalent and correlation contributions
- 1 January 1993
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Chemical Communications
- No. 24,p. 1812-1813
- https://doi.org/10.1039/c39930001812
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.Keywords
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