## Abstract This paper presents some calculations on the monomer and dimer of benzoic acid using optimized molecular geometries. The calculated levels and transition moments are in good agreement with experimental results and they give a good account of some particular features of the absorption an
Calculated spectra of benzaldehyde and benzoic acid
β Scribed by Joan E. Ridley; Michael C. Zerner
- Publisher
- Elsevier Science
- Year
- 1979
- Tongue
- English
- Weight
- 918 KB
- Volume
- 76
- Category
- Article
- ISSN
- 0022-2852
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## Abstract Raman and infrared spectroscopic studies of benzoic acid dimers and crystals have been made. Molecular and crystal normal modes have been calculated. An assignment of the observed spectra has been proposed and some specific modes discussed.
Crystalline benzoic acid has been studied by far-infrared spectroscopy in the spectral region of 20-230 cm-' with a view to a determination and an assignment of the pure lattice and the intermonomer vibrations. An anomalous behaviour, similar to the one found earlier in the mid-IR, is observed for t