Abstract
The anharmonic constants x pq , g pq are recomputed for C 6H 6, using a previously obtained self consistent field quartic forcefield. Particular care has been taken to obtain correct values for the anharmonic constants when p and q refer to degenerate modes t and t′, by treating the molecule as an asymmetric top. The Pliva formulae have been verified for x tt , g tt , x tt′ and g tt′ . Values for the vibrational l-type doubling constants r tt′ , s tt′ have also been determined. The importance of Fermi-I and Fermi-II resonances has also been examined.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
More From: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.