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 contribution | Ab Initio Study of the Reaction between Cl4 Mo = CH2 and Ethylene |
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Original language | Multiple languages |
Pages (from-to) | 37-47 |
Journal | Journal of Molecular Structure: THEOCHEM |
Volume | 15 |
Issue number | 0 |
DOIs | |
Publication status | Published - 6 Dec 1991 |