Vibrational spectra and assignments for quinoline and isoquinoline
Abstract
Assignments of the vibrational spectra of quinoline and isoquinoline are reported. Calculated frequencies are based on normal coordinate analysis, using the Urey-Bradley Force Field including Kekule modification with force constants transferred from naphthalene and s-triazine. The calculated assignments are in good agreement with those based on observed frequencies. Thermodynamic functions based on the assigned frequencies are also given.
- Publication:
-
Journal of Molecular Spectroscopy
- Pub Date:
- April 1970
- DOI:
- 10.1016/0022-2852(70)90075-5
- Bibcode:
- 1970JMoSp..34...56W