## Abstract We report anharmonic spectra calculated for formaldehyde in acetonitrile solution using the quartic force field obtained for various DFT/solvent coupled models. A statistical study has been carried out for each mode by using several classes of DFT functionals and comparing them to the r
Vibrational anharmonicity of HCl in solution
β Scribed by Michel Perrot; George Turrell; Pham Van Huong
- Publisher
- Elsevier Science
- Year
- 1970
- Tongue
- English
- Weight
- 319 KB
- Volume
- 34
- Category
- Article
- ISSN
- 0022-2852
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π SIMILAR VOLUMES
Vibrational relaxation of HCI( v= 1) has been studied in mixtures with Kr and Xe at room temperature with the help of laserinduced fluorescence. Relaxation rate constants of k,,( Kr) =0.3 + 0.2 and k,,( Xe) = I. I f 0.3 Torr-' s-' have been found. The increase in the relaxation efftciency of xenon c
The vibrational relaxation of HCI in liquid xenon at -68Β°C has been studied. Vibrationally excited HCI is created following UV photolysis of HCI. The rate of relaxation of HCl as a function of HCl mole fraction in liquid xenon is the same as the correspondingrate forgas phaseHCIat -68Β°C. Similarly t
A previous mode1 for calculating the cross sections of the vibrational excitation of carbon monoxide by collision with carbon monoxide has been improved to include anharmonicity effects in the vibrational wavefunctions by describing them in terms of Morse oscillators. It is shown that this leads to
The vibration-vibration ene=y transfer of HCI gas initially excited to the tirst vibrational level is measured by monitoring the fluorescence of the 2-1 transition. The rate constant for the process is found to be 0.9 x IO5 secwl tom-'.