Emission spectroscopy of the predissociative excited state dynamics of acrolein, acrylic acid, and acryloyl chloride at 199 nm
- The James Franck Institute and the Department of Chemistry, The University of Chicago, Chicago, Illinois 60637 (United States)
The emission spectroscopy of acrolein (C{sub 3}H{sub 4}O), acrylic acid (C{sub 2}H{sub 3}COOH), and acryloyl chloride (C{sub 2}H{sub 3}COCl) excited at 199 nm elucidates the dominant electronic character of the excited state reached by the optical transition at this wavelength. Progressions in the C=C and C=O stretching overtones and various combination bands suggest the antibonding orbital has mixed {pi}*(C=C)/{pi}*(C=O) character. We interpret the results in conjunction with {ital ab} {ital initio} calculations at the configuration interaction singles level to identify the influence of resonance in the excited state of these conjugated molecules. The results on acrylic acid are of particular interest as excitation in this absorption band produces the HOCO intermediate of the OH+CO{r_arrow}H+CO{sub 2} reaction that is important in combustion. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}.
- DOE Contract Number:
- FG02-92ER14305
- OSTI ID:
- 249407
- Journal Information:
- Journal of Chemical Physics, Vol. 103, Issue 14; Other Information: PBD: 8 Oct 1995
- Country of Publication:
- United States
- Language:
- English
Similar Records
Surface component distribution in a vanadium-molybdenum oxide catalyst for making acrylic acid from acrolein
Electron spin resonance study on the acrylic acid anion radical and its protonation in some irradiated frozen solutions