Electronic structure and bonding in hexacoordinate silyl-palladium complexes

Edward C. Sherer, Christopher R. Kinsinger, Bethany L. Kormos, Jason D. Thompson, Christopher J. Cramer

Research output: Contribution to journalArticlepeer-review

30 Scopus citations

Abstract

PdII not PdVI: Electronic structure calculations indicate that the central palladium atom in the trinuclear Pd compound (see picture) is bonded to two SiH2R groups and two Si-Si σ bonds, consistent with an oxidation state of PdII, not PdVI, as might otherwise be inferred from the structural data.

Original languageEnglish (US)
Pages (from-to)1953-1956
Number of pages4
JournalAngewandte Chemie - International Edition
Volume41
Issue number11
DOIs
StatePublished - Jun 3 2002

Keywords

  • Bond theory
  • Density functional calculations
  • Electronic structure
  • Palladium
  • Si ligands

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