Variationally exact ro-vibrational levels of the floppy CH 2+ molecule
Abstract
Ro-vibrational calculations are performed on the CH 2+ radical using a method recently developed for atom-diatom systems. The vibrational fundamentals obtained are 2998.8, 718.3, and 3270.7 cm -1, in good agreement with recent results. Band origins for several higher vibrational levels are also obtained. Calculations with J = 1 show that the Coriolis interaction play a significant role and two alternative embeddings are discussed. Use of correlation parameters confirms that CH 2+ belongs to no idealized class of molecules in keeping with its "floppy" nature.
- Publication:
-
Journal of Molecular Spectroscopy
- Pub Date:
- September 1983
- DOI:
- 10.1016/0022-2852(83)90007-3
- Bibcode:
- 1983JMoSp.101...71T