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|
|Original language||Multiple languages|
|Journal||Journal of Molecular Structure: THEOCHEM|
|Publication status||Published - 6 Dec 1991|