Rotationally and vibrationally inelastic scattering of glyoxal at E =80 meV
- Laboratorium voor Fysische Chemie (UvA), Nieuwe Achtergracht 127, 1018 WS Amsterdam, The Netherlands (NL)
- University Chemical Laboratory, Lensfield Road, Cambridge CB2 1EW (United Kingdom)
Results of quantum calculations on rotationally and vibrationally inelastic scattering of {sup 1}{ital A}{sub {ital u}}({ital S}{sub 1}) {ital trans}-glyoxal by H{sub 2},He, and Ar({ital E}=80 meV) are presented. For scattering of 0{sup 0} glyoxal and 7{sup 2} glyoxal by H{sub 2}, a quantitative comparison with a recent crossed beam experiment is made. The calculated cross sections for rotationally inelastic scattering are in good agreement with the experimental values, and the trend that {sigma}(7{sup 2}, {ital k}=0{r arrow}7{sup 2}, {ital k}{prime}) falls off faster with {ital k}{prime} than {sigma}(0{sup 0}, {ital k}=0{r arrow}0{sup 0}, {ital k}{prime}) is reproduced. Our calculations do not reproduce the experimental finding that, for the initial 7{sup 2} level, the cross sections for the {Delta}{ital v}{sub 7}={minus}1 and {Delta}{ital v}{sub 7}=+1 transitions are nearly identical. The calculations on 7{sup 2} glyoxal + He and Ar show important differences with 7{sup 2} glyoxal + H{sub 2} in the competition of rotational excitation with vibrational excitation. Model calculations also presented here yield some interesting trends in the {ital k}{prime} dependence of the cross sections {sigma}(0{sup 0}, {ital k}=0{r arrow}{ital x}{sup 1}, {ital k}{prime}) on the vibrational mode {ital x} excited.
- OSTI ID:
- 6741785
- Journal Information:
- Journal of Chemical Physics; (USA), Journal Name: Journal of Chemical Physics; (USA) Vol. 93:1; ISSN JCPSA; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ALDEHYDES
ARGON
ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
BEAMS
COLLISIONS
CROSS SECTIONS
ELEMENTS
ENERGY LEVELS
ENERGY RANGE
ENERGY-LEVEL TRANSITIONS
EV RANGE
EXCITATION
EXCITED STATES
FLUIDS
GASES
GLYOXAL
HELIUM
HYDROGEN
MILLI EV RANGE
MOLECULAR BEAMS
MOLECULE COLLISIONS
MOLECULE-MOLECULE COLLISIONS
NONMETALS
ORGANIC COMPOUNDS
RARE GASES
ROTATIONAL STATES
VIBRATIONAL STATES