Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 19, Issue 12, Pages 8152-8160Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c6cp07731e
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Funding
- NKFIH [K119658]
- PROMYS grant of the Swiss National Science Foundation [IZ11Z0_166525]
- Ministry of Human Capacities of Hungary [UNKP-16-3]
- Conseil National de la Recherche Scientifique (CNRS)
- Centre National d'Etudes Spatiales (CNES)
- COST Action CM1405 entitled MOLIM: Molecules in Motion
- Swiss National Science Foundation (SNF) [IZ11Z0_166525] Funding Source: Swiss National Science Foundation (SNF)
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Rotational-vibrational states of the Ar.NO+ cationic complex are computed, below, above, and well above the complex's first dissociation energy, using variational nuclear motion and close-coupling scattering computations. The HSLH potential energy surface used in this study (J. Chem. Phys., 2011, 135, 044312) is characterized by a first dissociation energy of D-0 = 887.0 cm(-1) and supports 200 bound vibrational states. The bound-state vibrational energies and the corresponding wave functions allow the interpretation of the scarcely available experimental results about the intermonomer vibrational motion of the complex. A very large number of long-lived quasibound combination states of the three vibrational modes, exhibiting a very similar energy-level structure as that of the bound states, are found embedded in the continuum. Additional short-lived resonance states are also identified and their properties are analyzed.
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