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Effect of electrical and mechanical anharmonicity on vibrational spectra of H-bonded complexes : Phenol...B (B = acetonitrile, pyridine) systems. / Melikova, S.; Shchepkin, D.; Koll, A.

In: Journal of Molecular Structure, Vol. 448, No. 2-3, 20.07.1998, p. 239-246.

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

Harvard

Melikova, S, Shchepkin, D & Koll, A 1998, 'Effect of electrical and mechanical anharmonicity on vibrational spectra of H-bonded complexes: Phenol...B (B = acetonitrile, pyridine) systems', Journal of Molecular Structure, vol. 448, no. 2-3, pp. 239-246. https://doi.org/10.1016/S0022-2860(98)00355-X

APA

Melikova, S., Shchepkin, D., & Koll, A. (1998). Effect of electrical and mechanical anharmonicity on vibrational spectra of H-bonded complexes: Phenol...B (B = acetonitrile, pyridine) systems. Journal of Molecular Structure, 448(2-3), 239-246. https://doi.org/10.1016/S0022-2860(98)00355-X

Vancouver

Melikova S, Shchepkin D, Koll A. Effect of electrical and mechanical anharmonicity on vibrational spectra of H-bonded complexes: Phenol...B (B = acetonitrile, pyridine) systems. Journal of Molecular Structure. 1998 Jul 20;448(2-3):239-246. https://doi.org/10.1016/S0022-2860(98)00355-X

Author

Melikova, S. ; Shchepkin, D. ; Koll, A. / Effect of electrical and mechanical anharmonicity on vibrational spectra of H-bonded complexes : Phenol...B (B = acetonitrile, pyridine) systems. In: Journal of Molecular Structure. 1998 ; Vol. 448, No. 2-3. pp. 239-246.

BibTeX

@article{f1e2e61448e74cd091c9de868abdf93d,
title = "Effect of electrical and mechanical anharmonicity on vibrational spectra of H-bonded complexes: Phenol...B (B = acetonitrile, pyridine) systems",
abstract = "The model of the anharmonic dipole moment function of the H-bonded complex AH...B is applied to C6H5OH(D) complexes with acetonitrile and pyridine. The frequencies and absolute intensities data for the overtones and the fundamental absorption bands in a wide spectral region (8000-50 cm-1) and derivatives of the dipole moment function are presented and compared with ab initio calculation results on the DFT B3LYP/6-31G** level.",
keywords = "Anharmonicity, Dipole moment function, Hydrogen bond, Phenol, Vibrational spectra",
author = "S. Melikova and D. Shchepkin and A. Koll",
note = "Funding Information: for usefuld iscussionsT.h e authors (S.M. and D.S.) thank the Russian Foundation for Basic Research (Project N 97-03-33658aan) dG KV (N 95-0-53-104).",
year = "1998",
month = jul,
day = "20",
doi = "10.1016/S0022-2860(98)00355-X",
language = "English",
volume = "448",
pages = "239--246",
journal = "Journal of Molecular Structure",
issn = "0022-2860",
publisher = "Elsevier",
number = "2-3",

}

RIS

TY - JOUR

T1 - Effect of electrical and mechanical anharmonicity on vibrational spectra of H-bonded complexes

T2 - Phenol...B (B = acetonitrile, pyridine) systems

AU - Melikova, S.

AU - Shchepkin, D.

AU - Koll, A.

N1 - Funding Information: for usefuld iscussionsT.h e authors (S.M. and D.S.) thank the Russian Foundation for Basic Research (Project N 97-03-33658aan) dG KV (N 95-0-53-104).

PY - 1998/7/20

Y1 - 1998/7/20

N2 - The model of the anharmonic dipole moment function of the H-bonded complex AH...B is applied to C6H5OH(D) complexes with acetonitrile and pyridine. The frequencies and absolute intensities data for the overtones and the fundamental absorption bands in a wide spectral region (8000-50 cm-1) and derivatives of the dipole moment function are presented and compared with ab initio calculation results on the DFT B3LYP/6-31G** level.

AB - The model of the anharmonic dipole moment function of the H-bonded complex AH...B is applied to C6H5OH(D) complexes with acetonitrile and pyridine. The frequencies and absolute intensities data for the overtones and the fundamental absorption bands in a wide spectral region (8000-50 cm-1) and derivatives of the dipole moment function are presented and compared with ab initio calculation results on the DFT B3LYP/6-31G** level.

KW - Anharmonicity

KW - Dipole moment function

KW - Hydrogen bond

KW - Phenol

KW - Vibrational spectra

UR - http://www.scopus.com/inward/record.url?scp=0032411580&partnerID=8YFLogxK

U2 - 10.1016/S0022-2860(98)00355-X

DO - 10.1016/S0022-2860(98)00355-X

M3 - Article

AN - SCOPUS:0032411580

VL - 448

SP - 239

EP - 246

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

SN - 0022-2860

IS - 2-3

ER -

ID: 90572443