Theoretical study of the visible photodissociation spectrum of Ar3+
✍ Scribed by F. X. Gadéa
- Publisher
- Springer
- Year
- 1991
- Tongue
- English
- Weight
- 448 KB
- Volume
- 20
- Category
- Article
- ISSN
- 1434-6060
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📜 SIMILAR VOLUMES
New ab initio calculations are reported that indicate Art is a linear, asymmetric, C, molecule with equilibrium bond lengths R, ~2.47 A and R2= 2.73 A. The potential energy surface is very shallow along the asymmetric stretch coordinate indicating excursions of the least bound argon atom of 0.5 to 0
The ground 'Zg', the lowest t311, t3A and '-%-excited states of the AsN molecule have been calculated using a double-zeta + polarization + diffuse basis set, large CI and non-empirical pseudopotentials. Agreement with experimental ';. oe and transition energies is good. The calculated D\_\_ is 4.22
The absolute flues of the photodissociation cross sections and Lineshapes for 29 XTS of predissociative trajlsitions of the Ar-HD xwt der Wtis compkx have been computed. These llneshapes are summed with the correct staristical weightmng and compared with the experimenMly observed spectrum of McKeIk.