Codimerization of norbornene and 1,3-cyclopentadiene: quantum chemical and experimental research


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A comprehensive theoretical and experimental research of the diene synthesis involving norbornene (1) and 1,3-cyclopentadiene (2) was carried out. The thermodynamic and kinetic parameters were evaluated by quantum chemical methods, and the structures of stereoisomeric products and the quantitative estimation of their ratio were predicted. The results of quantum chemical analysis were experimentally confirmed. The structures of codimers of 1 with 2 and their ratio were determined by a number of physicochemical methods. A strategy combining the theoretical and experimental studies and enabling to optimize the search for objects for the synthesis and reaction conditions was proposed.

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V. Flid

MIREA — Russian Technological University, M. V. Lomonosov Institute of Fine Chemical Technologies

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Email: vitaly-flid@yandex.ru
俄罗斯联邦, 86 prosp. Vernadskogo, Moscow, 119571

S. Durakov

MIREA — Russian Technological University, M. V. Lomonosov Institute of Fine Chemical Technologies

Email: vitaly-flid@yandex.ru
俄罗斯联邦, 86 prosp. Vernadskogo, Moscow, 119571

T. Morozova

MIREA — Russian Technological University, M. V. Lomonosov Institute of Fine Chemical Technologies

Email: vitaly-flid@yandex.ru
俄罗斯联邦, 86 prosp. Vernadskogo, Moscow, 119571

D. Cheshkov

MIREA — Russian Technological University, M. V. Lomonosov Institute of Fine Chemical Technologies

Email: vitaly-flid@yandex.ru
俄罗斯联邦, 86 prosp. Vernadskogo, Moscow, 119571

E. Katsman

MIREA — Russian Technological University, M. V. Lomonosov Institute of Fine Chemical Technologies

Email: vitaly-flid@yandex.ru
俄罗斯联邦, 86 prosp. Vernadskogo, Moscow, 119571

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