| Autor: |
Metha, G. F., Buntine, M. A., Bradley, A. J., Morrison, R. J. S. |
| Zdroj: |
Journal of Molecular Spectroscopy; March 2001, Vol. 206 Issue: 1 p73-82, 10p |
| Abstrakt: |
We report the results of a study on the vibrational structure in the ( n , 3 s ) Rydberg state of iso -butanal, carried out via 2+1 multiphoton ionization spectroscopy in a supersonic expansion. Spectra were recorded for both the normal species, (CH 3 ) 2 CHCHO, and the deuterated isotopomer, (CH 3 ) 2 CDCHO. The spectra show a complicated vibrational pattern attributable to the gauche ( C 1 ) conformer which is known to be 250 cm lower in energy than the more symmetric trans ( C s ) conformer. The spectra are dominated by the low-frequency formyl torsion which appears in combination with the two methyl torsions (in-phase and out-of-phase) and with several skeletal modes. Vibrational assignments have been aided by ab initio calculations of the ( n , 3 s ) Rydberg state. |
| Databáze: |
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