Methyl Group Rotation Driven by Proton Transfer through a Long‐Range Chemical Interaction | Zendy

Ushiyama Hiroshi | Zendy; Takatsuka Kazuo | Zendy

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Methyl Group Rotation Driven by Proton Transfer through a Long‐Range Chemical Interaction

Author(s) -

Ushiyama Hiroshi,

Takatsuka Kazuo

Publication year - 2005

Publication title -

angewandte chemie international edition

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 1433-7851

DOI - 10.1002/anie.200461459

Subject(s) - hyperconjugation , rotation (mathematics) , proton , chemistry , coupling (piping) , tautomer , group (periodic table) , molecule , transfer (computing) , chemical physics , computational chemistry , methyl group , stereochemistry , physics , computer science , quantum mechanics , materials science , organic chemistry , metallurgy , artificial intelligence , parallel computing

Coupling drives the rotation : A theoretical study of proton‐transfer dynamics of 5‐methyltropolone (5MTR) has identified a long‐range mechanical interaction. Methyl group rotation can be driven by proton transfer because of coupling between hyperconjugation and tautomerization within 5MTR (see HOMO–LUMO interaction). A quantum‐mechanical mechanism is presented in which this molecule undergoes a conformational change.

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