Structural Features of [(CpPPh2AuCl)2ZrCl2]: exploring the limits of aurophilic interactions

Chem Asian J. 2008 Apr 7;3(4):753-8. doi: 10.1002/asia.200700353.

Abstract

The reaction of [(CpPPh(2))(2)ZrCl(2)] (1 a) with two molar equivalents of (Me(2)S)AuCl gave the trimetallic complex [(CpPPh(2)AuCl)(2)ZrCl(2)] (6). Crystalline complex 6 shows a conformational structure that features both P--Au--Cl vectors oriented toward the open front side of the bent metallocene wedge. Quantum-chemical calculations rationalized the absence of an aurophilic AuAu interaction in 6 by showing that a combination of noncovalent forces overcompensates any possible attractive AuAu interaction.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Computer Simulation
  • Models, Molecular
  • Molecular Structure
  • Organogold Compounds / chemistry*

Substances

  • Organogold Compounds