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Spectroscopic study of the benchmark Mn+-H2 complex

Journal Article


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Abstract


  • We have recorded the rotationally resolved infrared spectrum of the weakly bound Mn--H2 complex in the H-H stretch region (4022-4078 cm-1) by monitoring Mn- photodissociation products. The band center of Mn+-H2, the H-H stretch transition, is shifted by -111.8 cm-1 from the transition of the free H2 molecule. The spectroscopic data suggest that the Mn--H2 complex consists of a slightly perturbed H2 molecule attached to the Mn+ ion in a T-shaped configuration with a vibrationally averaged intermolecular separation of 2.73 ̊. Together with the measured Mn +⋯H2 binding energy of 7.9 kJ/mol (Weis, P.; et al. J. Phys. Chem. A 1997, 101, 2809.), the spectroscopic parameters establish Mn+⋯2 as the most thoroughly characterized transition-metal cation-dihydrogen complex and a benchmark for calibrating quantum chemical calculations on noncovalent systems involving open d-shell configurations. Such systems are of possible importance for hydrogen storage applications.

UOW Authors


  •   Bieske, Evan J. (external author)
  •   Dryza, Viktoras (external author)
  •   Poad, Berwyck L. J.

Publication Date


  • 2009

Citation


  • Dryza, V., Poad, B. L. J. & Bieske, E. J. (2009). Spectroscopic study of the benchmark Mn+-H2 complex. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 113 (21), 6044-6048.

Scopus Eid


  • 2-s2.0-66149186542

Ro Full-text Url


  • http://ro.uow.edu.au/cgi/viewcontent.cgi?article=7962&context=scipapers

Ro Metadata Url


  • http://ro.uow.edu.au/scipapers/4619

Has Global Citation Frequency


Number Of Pages


  • 4

Start Page


  • 6044

End Page


  • 6048

Volume


  • 113

Issue


  • 21

Abstract


  • We have recorded the rotationally resolved infrared spectrum of the weakly bound Mn--H2 complex in the H-H stretch region (4022-4078 cm-1) by monitoring Mn- photodissociation products. The band center of Mn+-H2, the H-H stretch transition, is shifted by -111.8 cm-1 from the transition of the free H2 molecule. The spectroscopic data suggest that the Mn--H2 complex consists of a slightly perturbed H2 molecule attached to the Mn+ ion in a T-shaped configuration with a vibrationally averaged intermolecular separation of 2.73 ̊. Together with the measured Mn +⋯H2 binding energy of 7.9 kJ/mol (Weis, P.; et al. J. Phys. Chem. A 1997, 101, 2809.), the spectroscopic parameters establish Mn+⋯2 as the most thoroughly characterized transition-metal cation-dihydrogen complex and a benchmark for calibrating quantum chemical calculations on noncovalent systems involving open d-shell configurations. Such systems are of possible importance for hydrogen storage applications.

UOW Authors


  •   Bieske, Evan J. (external author)
  •   Dryza, Viktoras (external author)
  •   Poad, Berwyck L. J.

Publication Date


  • 2009

Citation


  • Dryza, V., Poad, B. L. J. & Bieske, E. J. (2009). Spectroscopic study of the benchmark Mn+-H2 complex. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 113 (21), 6044-6048.

Scopus Eid


  • 2-s2.0-66149186542

Ro Full-text Url


  • http://ro.uow.edu.au/cgi/viewcontent.cgi?article=7962&context=scipapers

Ro Metadata Url


  • http://ro.uow.edu.au/scipapers/4619

Has Global Citation Frequency


Number Of Pages


  • 4

Start Page


  • 6044

End Page


  • 6048

Volume


  • 113

Issue


  • 21