Complex rovibrational dynamics of the Ar·NO+ complex

Dóra Papp, János Sarka, Tamás Szidarovszky, A. Császár, E. Mat́yus, Majdi Hochlaf, Thierry Stoecklin

Research output: Contribution to journalArticle

9 Citations (Scopus)

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-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.

Original languageEnglish
Pages (from-to)8152-8160
Number of pages9
JournalPhysical Chemistry Chemical Physics
Volume19
Issue number12
DOIs
Publication statusPublished - Jan 1 2017

Fingerprint

vibrational states
Potential energy surfaces
Wave functions
dissociation
Electron energy levels
Scattering
energy
vibration mode
energy levels
potential energy
wave functions
continuums
scattering

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Complex rovibrational dynamics of the Ar·NO+ complex. / Papp, Dóra; Sarka, János; Szidarovszky, Tamás; Császár, A.; Mat́yus, E.; Hochlaf, Majdi; Stoecklin, Thierry.

In: Physical Chemistry Chemical Physics, Vol. 19, No. 12, 01.01.2017, p. 8152-8160.

Research output: Contribution to journalArticle

Papp, D, Sarka, J, Szidarovszky, T, Császár, A, Mat́yus, E, Hochlaf, M & Stoecklin, T 2017, 'Complex rovibrational dynamics of the Ar·NO+ complex', Physical Chemistry Chemical Physics, vol. 19, no. 12, pp. 8152-8160. https://doi.org/10.1039/c6cp07731e
Papp, Dóra ; Sarka, János ; Szidarovszky, Tamás ; Császár, A. ; Mat́yus, E. ; Hochlaf, Majdi ; Stoecklin, Thierry. / Complex rovibrational dynamics of the Ar·NO+ complex. In: Physical Chemistry Chemical Physics. 2017 ; Vol. 19, No. 12. pp. 8152-8160.
@article{1d19d491a9b4454d819264acb2eea9f8,
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-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.",
author = "D{\'o}ra Papp and J{\'a}nos Sarka and Tam{\'a}s Szidarovszky and A. Cs{\'a}sz{\'a}r and E. Mat́yus and Majdi Hochlaf and Thierry Stoecklin",
year = "2017",
month = "1",
day = "1",
doi = "10.1039/c6cp07731e",
language = "English",
volume = "19",
pages = "8152--8160",
journal = "Physical Chemistry Chemical Physics",
issn = "1463-9076",
publisher = "Royal Society of Chemistry",
number = "12",

}

TY - JOUR

T1 - Complex rovibrational dynamics of the Ar·NO+ complex

AU - Papp, Dóra

AU - Sarka, János

AU - Szidarovszky, Tamás

AU - Császár, A.

AU - Mat́yus, E.

AU - Hochlaf, Majdi

AU - Stoecklin, Thierry

PY - 2017/1/1

Y1 - 2017/1/1

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=85019161700&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85019161700&partnerID=8YFLogxK

U2 - 10.1039/c6cp07731e

DO - 10.1039/c6cp07731e

M3 - Article

AN - SCOPUS:85019161700

VL - 19

SP - 8152

EP - 8160

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

SN - 1463-9076

IS - 12

ER -