Research output: Contribution to journal › Article › peer-review
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 language | English |
|---|---|
| Pages (from-to) | 239-246 |
| Number of pages | 8 |
| Journal | Journal of Molecular Structure |
| Volume | 448 |
| Issue number | 2-3 |
| DOIs | |
| State | Published - 20 Jul 1998 |
ID: 90572443