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Theoretical study of the interaction of benzene with platinum atom and cation

✍ Scribed by S Roszak; K Balasubramanian

Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
381 KB
Volume
234
Category
Article
ISSN
0009-2614

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✦ Synopsis

An extensive ab initio study of the benzene-Pt and benzene-Pt ÷ complexes is presented. The benzene-Pt complex has been found to have a C s equilibrium structure with Pt bonded to one of the C-C bonds in a bridged position above the plane of benzene, while the cationic complex has a C6v structure. Covalent forces lead to the formation of the Pt-benzene molecular complex, while electrostatic interactions prevail in the case of the benzene-Pt + complex. The reaction pathway of Pt + towards benzene has been studied in both the ground and lowest excited states.

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