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Rovibronic states in the X-2 Pi state of the CCS- anion

Abstract : Three-dimensional potential energy functions have been generated ab initio for the X(2)Pi electronic ground state of CCS- and used in variational Renner-Teller calculations including electron spin. Rovibronic levels (J = P) for J less than or equal to 5/2 are given for energies up to 4000 cm(-1). The pattern of the levels is compared with that of CCO-. In the case of CCS- the quartic force fields, equilibrium geometry, electric dipole moment, the electronic affinity and the Franck-Condon factors for the X (2)Pi (CCS-) --> X(3)Sigma(-) (CCS) photodetachment spectrum are calculated.
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https://hal-upec-upem.archives-ouvertes.fr/hal-00693594
Contributor : Gilberte Chambaud <>
Submitted on : Wednesday, May 2, 2012 - 6:37:39 PM
Last modification on : Wednesday, February 26, 2020 - 7:06:08 PM

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D. Panten, Gilberte Chambaud, P. Rosmus, E. Riaplov, J.-P. Maier. Rovibronic states in the X-2 Pi state of the CCS- anion. ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS, 2003, 217 (3), pp.231--240. ⟨10.1524/zpch.217.3.231.20463⟩. ⟨hal-00693594⟩

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