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

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

doi:10.1016/0166-1280(91)85131-P

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 = CH₂and Ethylene

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

Research output: Contribution to journal › Article › Research › peer-review

6 Citations (Scopus)

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 = CH₂and Ethylene
Original language	Multiple languages
Pages (from-to)	37-47
Journal	Journal of Molecular Structure: THEOCHEM
Volume	15
Issue number	0
DOIs	https://doi.org/10.1016/0166-1280(91)85131-P
Publication status	Published - 6 Dec 1991

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10.1016/0166-1280(91)85131-P

Cite this

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

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. {\textcopyright} 1991.",

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year = "1991",

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doi = "10.1016/0166-1280(91)85131-P",

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volume = "15",

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T1 - Ab Initio Study of the Reaction between Cl4Mo = CH2 and Ethylene

AU - Sodupe, M.

AU - Lluch, J.M.

AU - Oliva, A.

AU - Bertrán, J.

PY - 1991/12/6

Y1 - 1991/12/6

N2 - 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.

AB - 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.

U2 - 10.1016/0166-1280(91)85131-P

DO - 10.1016/0166-1280(91)85131-P

M3 - Artículo

VL - 15

SP - 37

EP - 47

IS - 0

ER -