Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Features of strong O–H⋯O and N–H⋯O hydrogen bond manifestation in vibrational spectra. / Galkina, Yu A.; Kryuchkova, N. A.; Vershinin, M. A. и др.
в: Journal of Structural Chemistry, Том 58, № 5, 01.09.2017, стр. 911-918.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Features of strong O–H⋯O and N–H⋯O hydrogen bond manifestation in vibrational spectra
AU - Galkina, Yu A.
AU - Kryuchkova, N. A.
AU - Vershinin, M. A.
AU - Kolesov, B. A.
PY - 2017/9/1
Y1 - 2017/9/1
N2 - The work deals with the establishment of the dependence of the vibrational frequencies of strong O–H⋯O and N–H⋯O hydrogen bonds for the diagnosing the bonds themselves. To this end, the Raman spectra of a large number of different normal and deutero-substituted crystals characterized by the presence of strong O–H⋯O and N–H⋯O bonds are measured and the quantum chemical calculation is performed for one of these compounds. The dependence of the O–H stretching frequency on the O⋯O distance is constructed differing from that previously known for short O⋯O contacts. The mechanisms of significant broadening of the O–H vibration band in strong O–H⋯O hydrogen bonds are considered. Different dependences of the N–H vibrational frequencies in N–H⋯O bonds are reported and the causes of this diversity are discussed.
AB - The work deals with the establishment of the dependence of the vibrational frequencies of strong O–H⋯O and N–H⋯O hydrogen bonds for the diagnosing the bonds themselves. To this end, the Raman spectra of a large number of different normal and deutero-substituted crystals characterized by the presence of strong O–H⋯O and N–H⋯O bonds are measured and the quantum chemical calculation is performed for one of these compounds. The dependence of the O–H stretching frequency on the O⋯O distance is constructed differing from that previously known for short O⋯O contacts. The mechanisms of significant broadening of the O–H vibration band in strong O–H⋯O hydrogen bonds are considered. Different dependences of the N–H vibrational frequencies in N–H⋯O bonds are reported and the causes of this diversity are discussed.
KW - isotopic substitution
KW - quantum chemical calculation
KW - Raman spectra
KW - strong hydrogen bonds
KW - DENSITY
UR - http://www.scopus.com/inward/record.url?scp=85032019036&partnerID=8YFLogxK
U2 - 10.1134/S0022476617050080
DO - 10.1134/S0022476617050080
M3 - Article
AN - SCOPUS:85032019036
VL - 58
SP - 911
EP - 918
JO - Journal of Structural Chemistry
JF - Journal of Structural Chemistry
SN - 0022-4766
IS - 5
ER -
ID: 9874624