Standard

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. et al.

In: Journal of Structural Chemistry, Vol. 58, No. 5, 01.09.2017, p. 911-918.

Research output: Contribution to journal › Article › peer-review

Harvard

Galkina, YA, Kryuchkova, NA, Vershinin, MA & Kolesov, BA 2017, 'Features of strong O–H⋯O and N–H⋯O hydrogen bond manifestation in vibrational spectra', Journal of Structural Chemistry, vol. 58, no. 5, pp. 911-918. https://doi.org/10.1134/S0022476617050080

APA

Galkina, Y. A., Kryuchkova, N. A., Vershinin, M. A., & Kolesov, B. A. (2017). Features of strong O–H⋯O and N–H⋯O hydrogen bond manifestation in vibrational spectra. Journal of Structural Chemistry, 58(5), 911-918. https://doi.org/10.1134/S0022476617050080

Vancouver

Galkina YA, Kryuchkova NA, Vershinin MA, Kolesov BA. Features of strong O–H⋯O and N–H⋯O hydrogen bond manifestation in vibrational spectra. Journal of Structural Chemistry. 2017 Sept 1;58(5):911-918. doi: 10.1134/S0022476617050080

Author

Galkina, Yu A. ; Kryuchkova, N. A. ; Vershinin, M. A. et al. / Features of strong O–H⋯O and N–H⋯O hydrogen bond manifestation in vibrational spectra. In: Journal of Structural Chemistry. 2017 ; Vol. 58, No. 5. pp. 911-918.

BibTeX

@article{d06b47cdb9b34714a75ee71122680a6a,
title = "Features of strong O–H⋯O and N–H⋯O hydrogen bond manifestation in vibrational spectra",
abstract = "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.",
keywords = "isotopic substitution, quantum chemical calculation, Raman spectra, strong hydrogen bonds, DENSITY",
author = "Galkina, {Yu A.} and Kryuchkova, {N. A.} and Vershinin, {M. A.} and Kolesov, {B. A.}",
year = "2017",
month = sep,
day = "1",
doi = "10.1134/S0022476617050080",
language = "English",
volume = "58",
pages = "911--918",
journal = "Journal of Structural Chemistry",
issn = "0022-4766",
publisher = "Springer GmbH & Co, Auslieferungs-Gesellschaf",
number = "5",

}

RIS

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