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π-Electronic communication through mono and multinuclear gold(I) complexes by Marcin Palusiak; Célia Fonseca Guerra; F. Matthias Bickelhaupt is a Physics and Astronomy article available to read on EtoBox.

What is π-Electronic communication through mono and multinuclear gold(I) complexes about?

## Abstract We have theoretically studied gold(I) complexes of the type L^1^‐Au^I^‐L^2^ and HCN‐[Au^I^‐CN]~__n__~ (__n__ = 1–8) using relativistic density functional theory at ZORA‐BP86/TZ2P. Our purpose, besides determining structure and stability, is to analyze the bonding in our model systems in the conceptual framework of Kohn–Sham molecular orbital theory in combination with a quantitative bond energy decomposition scheme and analysis of the charge distribution. We focus on the π‐bonding interaction for a given ligand‐gold coordination bond and how this is affected by the presence of the other ligand. We find pronounced π‐electronic communication through the gold(I) valence shell in complexes that involve a π‐donor as well as a π‐acceptor ligand. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2009

Who reads π-Electronic communication through mono and multinuclear gold(I) complexes?

Author

Marcin Palusiak; Célia Fonseca Guerra; F. Matthias Bickelhaupt

Publisher

John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Inc.; Wiley (ISSN 0020-7608)

Published

2009

Language

EN

Field

Physics and Astronomy (Physical Sciences)