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Issue 12, 2017
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Complex rovibrational dynamics of the Ar·NO+ complex

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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 D0 = 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.

Graphical abstract: Complex rovibrational dynamics of the Ar·NO+ complex

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The article was received on 11 Nov 2016, accepted on 31 Jan 2017 and first published on 22 Feb 2017

Article type: Paper
DOI: 10.1039/C6CP07731E
Citation: Phys. Chem. Chem. Phys., 2017,19, 8152-8160
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    Complex rovibrational dynamics of the Ar·NO+ complex

    D. Papp, J. Sarka, T. Szidarovszky, A. G. Császár, E. Mátyus, M. Hochlaf and T. Stoecklin, Phys. Chem. Chem. Phys., 2017, 19, 8152
    DOI: 10.1039/C6CP07731E

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