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Long-distance inter-hydrogen bond coupling effects in the polarized IR spectra of succinic acid crystals.

Authors :
Flakus HT
Hachuła B
Hołaj-Krzak JT
Source :
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy [Spectrochim Acta A Mol Biomol Spectrosc] 2015 May 05; Vol. 142, pp. 126-34. Date of Electronic Publication: 2015 Feb 07.
Publication Year :
2015

Abstract

The spectral properties of four different crystalline succinic acid (HOOC-(CH2)2-COOH) (SAC) isotopomer systems, h6, d2, d4 and d6, were examined by means of the IR spectroscopy in polarized light aided by numerical simulations of the νO-H and νO-D band contour shapes on utilizing the "strong-coupling" model. The abnormal IR spectral properties of SAC crystals in relation to the corresponding properties of glutaric, pimelic and adipic acid crystals were ascribed to the hyperconjugation electronic effects in the acid associated molecules. A vibronic coupling mechanism involving the proton stretching vibrations in the (COOH)2 cycles and the electronic motions in the molecular skeletons, the isotopic "H/D self-organization" mechanisms and a long-distance vibrational exciton coupling between the adjacent (COOH)2 cycles in the molecular chains are mainly responsible for the generation of the temperature effects in the crystalline IR spectra.<br /> (Copyright © 2015 Elsevier B.V. All rights reserved.)

Details

Language :
English
ISSN :
1873-3557
Volume :
142
Database :
MEDLINE
Journal :
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Publication Type :
Academic Journal
Accession number :
25699702
Full Text :
https://doi.org/10.1016/j.saa.2015.01.074