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The Cr+–D2 cation complex: Accurate experimental dissociation energy, intermolecular bond length, and vibrational parameters

J. Chem. Phys. 131, 164303 (2009); doi:10.1063/1.3250985

Published 28 October 2009

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V. Dryza and E. J. Bieske
School of Chemistry, University of Melbourne, 3010 Victoria, Australia
The infrared spectrum of the T-shaped 52Cr+–D2 complex is measured over the 2742–2820  cm−1 range by detecting Cr+ photofragments. The main band, due to the D–D stretch excitation, is shifted at 215  cm−1 to lower energy from the Q<sub>0</sub><sup>1</sup> transition of the free D2 molecule and displays clearly resolved rovibrational transitions. Observation of a photodissociation onset for the N[prime]=8 rotational level is used to infer that the dissociation energy of Cr+–D2, with respect to ground-state Cr+ and D2 fragments, lies between 2839.7 and 2856.9  cm−1. Perturbations to the upper state levels are presumed to arise from interactions with quasibound combination levels involving the intermolecular stretch and bend vibrational modes. A vibrationally averaged Cr+[centered ellipsis]D2 separation of 2.023 Å and an estimate of 394  cm−1 for the intermolecular harmonic stretching frequency are derived from the measured rotational constants. ©2009 American Institute of Physics
History: Received 14 August 2009; accepted 25 September 2009; published 28 October 2009
Permalink: http://link.aip.org/link/?JCPSA6/131/164303/1
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KEYWORDS and PACS

Keywords
PACS
  • 33.15.Fm
    Molecular bond strengths, dissociation energies
  • 33.20.Ea
    Infrared molecular spectra
  • 33.20.Wr
    Vibronic, rovibronic, and rotation-electron-spin interactions (molecular spectra)
  • 34.50.Ez
    Rotational and vibrational energy transfer (atoms and molecules)
  • 33.15.Dj
    Interatomic distances and angles in molecules
  • 33.80.Gj
    Diffuse molecular spectra; predissociation, photodissociation
  • YEAR: 2009

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PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
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AIP is a member of CrossRef AIP

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