Bonding and conformational aspects of thiolato-bridged early-late heterobimetallics

Roger Rousseau, Douglas W. Stephan

Research output: Contribution to journalArticlepeer-review

36 Citations (Scopus)


Extended Huckel and Fenske-Hall MO calculations have been used to examine the bonding in a series of thiolato-bridged early-late heterobimetallics. The calculations support the postulate of a weak, dative interaction between the electron-rich late metal and the electron-deficient early metal center. Generally, for Ti species the interaction is weak σ bonding in character, although for Zr there is an indication of an additional π component. When the coordination sphere of the late metal center is trigonal or square planar, these interactions result in a MS2M′ core folding and an endo-cisoid conformation of the substituents on the bridging S atoms is adopted. Alternatively, a endo-transoid conformation and a planar MS2M′ core is seen when the late metal center requires a pseudotetrahedral coordination geometry. The implications of these results with respect to the structural and electrochemical properties is considered.

Original languageEnglish
Pages (from-to)3399-3403
Number of pages5
Issue number9
Publication statusPublished - 1991

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Organic Chemistry

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