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.

Original languageEnglish
Pages (from-to)239-246
Number of pages8
JournalJournal of Molecular Structure
Volume448
Issue number2-3
DOIs
StatePublished - 20 Jul 1998

    Research areas

  • Anharmonicity, Dipole moment function, Hydrogen bond, Phenol, Vibrational spectra

    Scopus subject areas

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry
  • Inorganic Chemistry

ID: 90572443