Publication
Title
Conformational stability and vibrational analysis of a series of branched octanes III : trimethyl pentanes
Author
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.
Language
English
Source (journal)
Spectrochimica acta: part A: molecular and biomolecular spectroscopy. - Oxford
Publication
Oxford : 1999
ISSN
1386-1425
Volume/pages
55:7-8(1999), p. 1453-1470
ISI
000081025900017
Full text (Publisher's DOI)
Full text (publisher's version - intranet only)
UAntwerpen
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 03.01.2013
Last edited 05.11.2017
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