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Multidimensional Large‐Amplitude Motion: Revealing Concurrent Tunneling Pathways in Molecules with Several Internal Rotors
Author(s) -
Schnell Melanie,
Grabow JensUwe
Publication year - 2006
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.200600201
Subject(s) - quantum tunnelling , molecule , amplitude , formalism (music) , physics , chemical physics , molecular physics , classical mechanics , chemistry , quantum mechanics , art , musical , visual arts
Light at the end of the tunnel : Knowledge of the feasible tunneling pathways of a molecule can shed light on the interaction mechanisms that govern its internal dynamics. A combination of rotational spectroscopy, permutation inversion group theory, and multidimensional tunneling formalism has shown that in the series (CH 3 ) 3 XCl (X=Si, Ge, Sn), electrostatic repulsion is gradually reduced and the chemical bond gains importance.