Theoretical study of the interaction d10-d8 between Pt(0) and M(I) on the [Pt(PH3)3-MPH3] + complexes (M = Cu, Ag, Au)

Fernando Mendizábal, Claudio Olea-Azar, Sebastian Miranda

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

Abstract

Ab initio calculations suggest that a series of complexes of type [Pt(PH3)3-MPH3]+ (M = Au, Ag, Cu) are stable. We found that changes around the equilibrium distance Pt-M and in the interaction energies are sensitive to the electron correlation potential. This effect was evaluated using several levels of theory, including HP, MP2, and B3LYP. Both the magnitude of the interaction energies and distances Pt-M indicate a formal chemical bond, the latter being ratified by orbital diagram.

Original languageEnglish
Pages (from-to)1454-1458
Number of pages5
JournalInternational Journal of Quantum Chemistry
Volume107
Issue number6
DOIs
Publication statusPublished - May 2007

Keywords

  • Coinage metal
  • Metal interaction
  • Platinum bond

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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