title: Complex rovibrational dynamics of the Ar·NO+complex.
abstract: 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 D0= 887.0 cm-1and 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.
authors.affiliation: MTA-ELTE Complex Chemical Systems Research Group, P.O. Box 32, H-1518 Budapest 112, Hungary. csaszar@chem.elte.hu.
authors.forename: Dóra
authors.initials: D
authors.lastname: Papp
authors.affiliation: MTA-ELTE Complex Chemical Systems Research Group, P.O. Box 32, H-1518 Budapest 112, Hungary. csaszar@chem.elte.hu.
authors.forename: János
authors.identifier: http://orcid.org/0000-0003-4269-0727
authors.initials: J
authors.lastname: Sarka
authors.affiliation: MTA-ELTE Complex Chemical Systems Research Group, P.O. Box 32, H-1518 Budapest 112, Hungary. csaszar@chem.elte.hu.
authors.forename: Tamás
authors.initials: T
authors.lastname: Szidarovszky
authors.affiliation: MTA-ELTE Complex Chemical Systems Research Group, P.O. Box 32, H-1518 Budapest 112, Hungary. csaszar@chem.elte.hu.
authors.forename: Attila G
authors.identifier: http://orcid.org/0000-0001-5640-191X
authors.initials: AG
authors.lastname: Császár
authors.affiliation: Institute of Chemistry, Eötvös University, Pázmány Péter sétány 1/A, H-1117 Budapest, Hungary.
authors.forename: Edit
authors.initials: E
authors.lastname: Mátyus
authors.affiliation: Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 bd Descartes, F-77454 Marne-la-Vallée, France.
authors.forename: Majdi
authors.initials: M
authors.lastname: Hochlaf
authors.affiliation: Institut des Sciences Moléculaires, Université de Bordeaux, CNRS UMR 5255, 33405 Talence Cedex, France. thierry.stoecklin@u-bordeaux.fr.
authors.forename: Thierry
authors.initials: T
authors.lastname: Stoecklin