Title
Conformational stability and vibrational analysis of a series of branched octanes III : trimethyl pentanes Conformational stability and vibrational analysis of a series of branched octanes III : trimethyl pentanes
Author
Publication type
article
Publication
Oxford ,
Subject
Chemistry
Source (journal)
Spectrochimica acta: part A: molecular and biomolecular spectroscopy. - Oxford
Volume/pages
55(1999) :7-8 , p. 1453-1470
ISSN
1386-1425
ISI
000081025900017
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
This communication presents the detailed results of systematic analyses by the method of molecular mechanics of the conformations of the entire series of trimethyl pentanes (TMP). Normal-mode calculations of the frequencies of the most stable conformations have been made with the use of the local-symmetry force field (LSFF). In the case of 2,2,3-TMP it was possible to evaluate the enthalpy of the conformational equilibrium by quantitative analyses of the effect of temperature on the observed spectra. Furthermore, certain effects of intermolecular interactions on the conformations of these relatively flexible molecules have been established. (C) 1999 Elsevier Science B.V. All rights reserved.
E-info
https://repository.uantwerpen.be/docman/iruaauth/2872d8/64b6120.pdf
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