Theoretical study of polar 2 + 2 cycloadditions

Miguel Durán; Juan Bertrán

Theoretical study of polar 2 + 2 cycloadditions

Miguel Durán, Juan Bertrán

Department of Chemistry

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

9 Citations (Scopus)

Abstract

By means of the MINDO/3 method the polar 2 + 2 cycloaddition of hydroxyethylene to 1,1-dicyanoethylene and the dimerization of ethylene have been studied. For the polar reaction the transition state has dipolar character, while for the non-polar reaction it has a tricentric structure. The reaction mechanism and the importance of charge transfer are discussed.

Original language	English
Pages (from-to)	681-685
Journal	Journal of the Chemical Society, Perkin Transactions 2
Issue number	6
Publication status	Published - 1 Dec 1982

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title = "Theoretical study of polar 2 + 2 cycloadditions",

abstract = "By means of the MINDO/3 method the polar 2 + 2 cycloaddition of hydroxyethylene to 1,1-dicyanoethylene and the dimerization of ethylene have been studied. For the polar reaction the transition state has dipolar character, while for the non-polar reaction it has a tricentric structure. The reaction mechanism and the importance of charge transfer are discussed.",

author = "Miguel Dur{\'a}n and Juan Bertr{\'a}n",

year = "1982",

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day = "1",

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T1 - Theoretical study of polar 2 + 2 cycloadditions

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AU - Bertrán, Juan

PY - 1982/12/1

Y1 - 1982/12/1

N2 - By means of the MINDO/3 method the polar 2 + 2 cycloaddition of hydroxyethylene to 1,1-dicyanoethylene and the dimerization of ethylene have been studied. For the polar reaction the transition state has dipolar character, while for the non-polar reaction it has a tricentric structure. The reaction mechanism and the importance of charge transfer are discussed.

AB - By means of the MINDO/3 method the polar 2 + 2 cycloaddition of hydroxyethylene to 1,1-dicyanoethylene and the dimerization of ethylene have been studied. For the polar reaction the transition state has dipolar character, while for the non-polar reaction it has a tricentric structure. The reaction mechanism and the importance of charge transfer are discussed.

M3 - Article

SP - 681

EP - 685

IS - 6

ER -