Abstract
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 language | English |
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Pages (from-to) | 3399-3403 |
Number of pages | 5 |
Journal | Organometallics |
Volume | 10 |
Issue number | 9 |
Publication status | Published - 1991 |
ASJC Scopus subject areas
- Inorganic Chemistry
- Organic Chemistry