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Kolekcje
Inne
Effect of electrical and mechanical anharmonicity on vibrational spectra of H-bonded complexes: phenol···B (B=acetonitrile, pyridine) systems.
Autorzy
Rok wydania
1998
Czasopismo
Journal of Molecular Structure
Numer woluminu
448
Strony
239-246
DOI
10.1016/S0022-2860(98)00355-X
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
The model of the anharmonic dipole moment function of the H-bonded complex AH.-.B is applied to C6HsOH(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 <) and derivatives of the dipole moment function are presented and compared with ab initio calculation results on the Dk-T B3LYP/6-31G** level.
Słowa kluczowe
Hydrogen bond, Anharmonicity, Dipole moment function, Vibrational spectra Phenol
Adres publiczny
https://doi.org/10.1016/S0022-2860(98)00355-X
Strona internetowa wydawcy
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