Influence of Relativistic Effects on Bonding Modes in M(II) Dinuclear Complexes (M = Au, Ag, and Cu)

Paul Jerabek, Beatriz Von Der Esch, Hubert Schmidbaur, Peter Schwerdtfeger

Research output: Contribution to journalArticlepeer-review

22 Scopus citations

Abstract

The stability and bonding in dinuclear group 11 metal complexes (M = Au, Ag, and Cu) in their +2 oxidation state has been investigated by quantum chemical methods. Two model complexes were selected as representatives of different bonding situations in the dinuclear M(II) complexes, a direct metal-metal bond between two ligand stabilized monomers and ligand-mediated bridged dimer system, making them interesting for a direct comparison and to study the influence of relativistic effects. Relativity substantially stabilizes the direct metal-metal bonded system obtaining the sequence in M-M bond stability Au > Ag > Cu. In the ligand-bridged structure, an asymmetric bonding situation is obtained for gold, resulting in two stronger/covalent and two weaker/ionic bonds per gold atom. Here we observe the opposite trend in stability Cu > Ag > Au. Our analysis nicely corroborates with what is known from experimental observation.

Original languageEnglish
Pages (from-to)14624-14631
Number of pages8
JournalInorganic Chemistry
Volume56
Issue number23
DOIs
StatePublished - 4 Dec 2017
Externally publishedYes

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