Hindered rotational barriers in conjugated donor–acceptor substituted systems: calculations vs. experiments

M. V. Sigalov,Vladimir Lokshin,Nina Larina,Vladimir Khodorkovsky

Physical Chemistry Chemical Physics（2020）

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摘要

Calculation of a barrier to rotation within push–pull derivatives requires considering at least three states: ground, donor and acceptor rotational transition states.

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关键词

hindered rotational barriers,donor–acceptor

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