Determination of CD- and CH-bond energies in d-chloroform and fluoroform from vibrational spectra using the Morse potential
Journal Article
·
· Optics and Spectroscopy
OSTI ID:223802
- St. Petersburg State Univ. (Russian Federation)
Based on the six-parametric model energy operator containing Morse potentials, the spectrum of valence vibrations of d-chloroform and fluoroform is calculated to the vibrational quantum number v= 2 with an accuracy of 5 and 6.3 cm{sup -1}, respectively. Upon HCCl{sub 3}{r_arrow} DCC1{sub 3} isotopic substitution, the CH-bond dissociation energy increases by 25.2 kJ/mol, which agrees with experimental estimates. The CH-bond dissociation energy 444.2 kJ/mol in the HCF{sub 3} molecule is quite close to its experimental value of 446.4 {+-} 4.2 kJ/mol. The influence of the high-frequency laser field on the vibrational spectrum of HCC{sub 3} is considered using averaging over the vibration period.
- OSTI ID:
- 223802
- Journal Information:
- Optics and Spectroscopy, Journal Name: Optics and Spectroscopy Journal Issue: 4 Vol. 78; ISSN OPSUA3; ISSN 0030-400X
- Country of Publication:
- United States
- Language:
- English
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