Non adiabatic vibrational resonances in molecules containing low barrier moieties: a classical dynamics study View Full Text


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Article Info

DATE

2000-05

AUTHORS

Sergio Abbate, Enrico Montagnoli, Giovanna Longhi

ABSTRACT

We discuss the classical dynamics of a CH-stretching and an OH-stretching vibration coupled to a hindered rotation around a CC (OC) bond of a CH3 group or an OH group. Our model is based on a two-dimensional system, in which zero angular momentum is assumed. The model is further simplified by considering only kinetic coupling between the CH (OH) stretching and the hindered rotation. Through numerical calculations, a new set of states is found, which originates from n:1 resonances between the internal rotation frequency and the stretching frequency, n being associated to the order of symmetry (n = 3 and 6 for the cases investigated). We also present a perturbative approach based on the Lie series method, which provides insight into these nonadiabatic states. More... »

PAGES

40-49

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/s002149900092

DOI

http://dx.doi.org/10.1007/s002149900092

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1037536876


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