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A new class of compounds suited to study the torsional dynamics in the quantum regime: the calixarenes

✍ Scribed by R. Caciuffo; G. Amoretti; F. Fillaux; O. Francescangeli; S. Melone; M. Prager; F. Ugozzoli

Publisher: Elsevier Science
Year: 1993
Tongue: English
Weight: 532 KB
Volume: 201
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(93)85096-7

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✦ Synopsis

Inelastic neutron scattering spectroscopy has been used to study the rotational dynamics of methyl groups in the ptert butylcalix[ 4]arene( 1: I )toluene complex. The neutron scattering function shows several lines between 0.16 and 2.6 meV, and can be satisfactorily reproduced by the single-particle model for rotational tunneling only if the presence of inequivalent sites is assumed, in contrast with the crystallographic determinations. An approach consistent with the room-temperature crystal structure and giving a satisfactory description of the experimental results is obtained by the quantum sine-Gordon model, which describes the dynamics of infinite chains of coupled methyl groups.

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