A, C, and D electronic states of the Ar–NO van der Waals molecule revisited: Experiment and theory
| Autor: | Niloufar Shafizadeh, M. Dyndgaard, Thomas Pino, D. Gauyacq, M. Raoult, Ph. Brechignac, J. C. Miller, B. Levy, Jean-Hugues Fillion |
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| Rok vydání: | 1998 |
| Předmět: |
Chemistry
Van der Waals molecule Intermolecular force General Physics and Astronomy Configuration interaction symbols.namesake Ab initio quantum chemistry methods Excited state Rydberg formula symbols Physics::Atomic Physics Physical and Theoretical Chemistry van der Waals force Atomic physics Ground state |
| Zdroj: | The Journal of Chemical Physics. 108:9313-9326 |
| ISSN: | 1089-7690 0021-9606 |
| DOI: | 10.1063/1.476384 |
| Popis: | The A–X transition of ArNO has been reinvestigated by laser induced fluorescence (LIF) both in the bound–free and bound–bound region. The discrete part of the spectrum is at least two orders of magnitude weaker than the continuum part, indicative of a large change in geometry from the ground state. This very different configuration, both from the ground state and from the C and D states, can only be explained by strong interactions, induced by the perturbing argon atom, between the excited states of the van der Waals complex converging to the 3sσ,A, 3pπ,C, and 3pσ,D Rydberg states of NO. In order to quantitatively understand the observed structure of the A–X, C–X, and D–X excitation spectra, a global theoretical approach is proposed, based on ab initio calculations of the potential energy surfaces in the planar A′ and A″ symmetries, including a configuration interaction between the states of same symmetry. Small adjustments of the diabatic energy surfaces lead to a satisfactory agreement between the obser... |
| Databáze: | OpenAIRE |
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