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Reaction path for the insertion reaction of SnCl2 into the Pt(SINGLE BOND)Cl bond: An ab initio study

✍ Scribed by William R. Rocha; Wagner B. De Almeida

Publisher: John Wiley and Sons
Year: 1997
Tongue: English
Weight: 210 KB
Volume: 65
Category: Article
ISSN: 0020-7608
DOI: 10.1002/(sici)1097-461x(1997)65:5<643::aid-qua30>3.0.co;2-0

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✦ Synopsis

The reaction pathway for the insertion reaction of SnCl into the Pt-Cl 2 Ž . Ž . bond on the cis-Pt Cl PH compound was investigated at the ab initio MO level of 2 3 2 theory. The optimized structure obtained for the transition state indicates that this reaction proceeds through a three-center transition state, and the formed intermediate Ž .Ž . Ž . Ž .Ž . Ž . cis-Pt Cl PH SnCl easily isomerizes to the trans-Pt Cl PH SnCl compound. 3 2 3 3 2 3

Ž . The nature of the bonds was investigated with the charge decomposition analysis CDA method and this method indicates that the SnCl group is a stronger trans director than 3 is the PH group.

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