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Reaction of the copper dimer with ethylene. A theoretical study

โœ Scribed by S. Roszak; K. Balasubramanian

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
599 KB
Volume
231
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

A theoretical study of interaction of ethylene with Cuz is considered using SCF/CASSCF/MP2 methods. The calculated dissociation energy is in good agreement with available experimental data. Our studies reveal that the perpendicular approach of Cu2 is more favored than the parallel approach. The strong bonding is assisted through the donation of x-electronic density from ethylene to the 4p orbital of Cu.

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