Research output: Contribution to journal › Article › peer-review
Raman Spectroscopic Study of Centered OHO Hydrogen Bonding in the Hydrogen Maleate Anion. / Vershinin, M. A.; A Vinogradova, K.; Pritchina, E. A. et al.
In: Journal of Structural Chemistry, Vol. 65, No. 6, 11, 06.2024, p. 1227-1235.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Raman Spectroscopic Study of Centered OHO Hydrogen Bonding in the Hydrogen Maleate Anion
AU - Vershinin, M. A.
AU - A Vinogradova, K.
AU - Pritchina, E. A.
AU - Kolesov, B. A.
N1 - This work was supported by ongoing institutional funding. No additional grant to carry out or direct this particular research were obtained.
PY - 2024/6
Y1 - 2024/6
N2 - Raman spectra of potassium salts of the protonated K[C4H3O4] and deuterated K[C4H2DO4] maleate anion in the temperature range 5-300 K are presented. It is shown that at low (5 K) temperature roughly half of the protonated and one third of the deuterated H-bonds in maleate anions is extremely strong, the potential curve of the proton (deuteron) is single-well, in which the particles are located at the bond center, and the symmetry of the anions is C2v. As the temperature increases, the deuterons begin to shift toward one of the oxygen atoms at T > 30 K, and the proton at T > 100 K. At room temperature, the symmetry of both compounds becomes C1h.
AB - Raman spectra of potassium salts of the protonated K[C4H3O4] and deuterated K[C4H2DO4] maleate anion in the temperature range 5-300 K are presented. It is shown that at low (5 K) temperature roughly half of the protonated and one third of the deuterated H-bonds in maleate anions is extremely strong, the potential curve of the proton (deuteron) is single-well, in which the particles are located at the bond center, and the symmetry of the anions is C2v. As the temperature increases, the deuterons begin to shift toward one of the oxygen atoms at T > 30 K, and the proton at T > 100 K. At room temperature, the symmetry of both compounds becomes C1h.
KW - Raman spectroscopy
KW - intramolecular hydrogen bonding
KW - isotope effects
KW - maleic acid salts
KW - quantum-chemical calculation
UR - https://www.scopus.com/record/display.uri?eid=2-s2.0-85198116357&origin=inward&txGid=bfab225a1debc04579c01c727da4f46c
UR - https://www.elibrary.ru/item.asp?id=68537980
UR - https://www.mendeley.com/catalogue/018cdf47-f4de-3fa1-a6c6-be8eae48b6e0/
U2 - 10.1134/S0022476624060118
DO - 10.1134/S0022476624060118
M3 - Article
VL - 65
SP - 1227
EP - 1235
JO - Journal of Structural Chemistry
JF - Journal of Structural Chemistry
SN - 0022-4766
IS - 6
M1 - 11
ER -
ID: 60749888