A. Aboulmouhajir, G. Turrell
Nov 30, 1996
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Influential Citations
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Journal
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Abstract
Abstract In previous spectroscopic work on dimethylhexanes, complete vibrational assignments of each isomer in its most stable conformation were made with the aid of normal-coordinate analyses. In this communication, the vibrational spectra of 2,2- and 2,5-dimethylhexane are re-examined, and a number of bands are assigned to less stable conformers whose structures are determined by molecular mechanics calculations. The measured relative integrated intensities of several pairs of bands as a function of temperature yields values for the enthalpy differences between conformers.