Ab Initio Study of the Reaction between Cl4Mo = CH2 and Ethylene

Translated title of the contribution: Ab Initio Study of the Reaction between Cl4 Mo = CH2 and Ethylene

M. Sodupe, J.M. Lluch, A. Oliva, J. Bertrán

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Abstract

An ab initio Hartree-Fock study of the reaction between the Cl4WCH2 complex and ethylene was carried out. We present calculations for the tungsten-methylene complex, for the olefin-tungsten-methylene complex and for the corresponding metallacyclobutane. The results obtained indicate that the formation of the metallacyclobutane is an exothermic process that probably takes place through the olefin-tungsten-methylene complex. © 1991.
Translated title of the contributionAb Initio Study of the Reaction between Cl4 Mo = CH2 and Ethylene
Original languageMultiple languages
Pages (from-to)37-47
JournalJournal of Molecular Structure: THEOCHEM
Volume15
Issue number0
DOIs
Publication statusPublished - 6 Dec 1991

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