Research output: Contribution to journal › Article › peer-review
Raman spectra of terephthalic acid crystals in the temperature range 5 K–300 K. / Pritchina, E. A.; Kolesov, B. A.
In: Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Vol. 202, 05.09.2018, p. 319-323.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Raman spectra of terephthalic acid crystals in the temperature range 5 K–300 K
AU - Pritchina, E. A.
AU - Kolesov, B. A.
N1 - Copyright © 2018 Elsevier B.V. All rights reserved.
PY - 2018/9/5
Y1 - 2018/9/5
N2 - Raman spectra of terephthalic acid crystals were taken in the temperature range 5 K–300 K. The temperature dependence of the vibrational frequency of the O⋯O hydrogen bond is found to contain information on the mechanism of the proton motion along the bond (hopping and/or tunneling). Onset temperatures of both tunneling and ordering (termination of the hopping) process are determined. Triplet exciton bands observed in the high-wavenumber spectral range also exhibit the relation with proton motions between oxygen atoms. The energy spectra of molecular chains of terephthalic acid, the proton potential energy along the bond, and the probabilities of tunneling as a function of the hydrogen bond lengths are calculated.
AB - Raman spectra of terephthalic acid crystals were taken in the temperature range 5 K–300 K. The temperature dependence of the vibrational frequency of the O⋯O hydrogen bond is found to contain information on the mechanism of the proton motion along the bond (hopping and/or tunneling). Onset temperatures of both tunneling and ordering (termination of the hopping) process are determined. Triplet exciton bands observed in the high-wavenumber spectral range also exhibit the relation with proton motions between oxygen atoms. The energy spectra of molecular chains of terephthalic acid, the proton potential energy along the bond, and the probabilities of tunneling as a function of the hydrogen bond lengths are calculated.
KW - Hydrogen bonds
KW - Molecular crystals
KW - Proton hopping
KW - Proton tunneling
KW - Tautomerism
KW - DENSITY
KW - TRANSITION
KW - STATES
KW - HYDROGEN-BOND
KW - THERMOCHEMISTRY
KW - DYNAMICS
KW - DIFFRACTION
UR - http://www.scopus.com/inward/record.url?scp=85047266085&partnerID=8YFLogxK
U2 - 10.1016/j.saa.2018.05.065
DO - 10.1016/j.saa.2018.05.065
M3 - Article
C2 - 29800896
AN - SCOPUS:85047266085
VL - 202
SP - 319
EP - 323
JO - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
JF - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
SN - 1386-1425
ER -
ID: 13488060