Predicted vibration-rotation levels of H2He(+) and its isotopomers

Details Predicted vibration-rotation levels of H2He(+) and its isotopomers Predicted vibration-rotation levels of H2He(+) and its isotopomers

Dec 1987

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1987jchph..87.6648t&link_type=abstract

Journal of Chemical Physics (ISSN 0021-9606), vol. 87, Dec. 1, 1987, p. 6648-6652.

Astronomy and Astrophysics

Astrophysics

19

Helium Isotopes, Hydrogen Isotopes, Positive Ions, Vibrational Spectra, Astrophysics, Configuration Interaction, Molecular Rotation

Scientific paper

The rovibrational energy levels of (He-4)H2(+) and its He-3 and deuterated isotopomers are calculated using the surface of Joseph and Sathyamurthy (1987). The linear (He-4)H2(+) molecule is predicted to have an (He-4)H2(+) stretch fundamental of 732/cm with the first J = 0 excited bend at 960/cm. This isotopomer has no bound excited states of the H2(+) vibrational mode. Calculations with J = 1 and J = 2 predict a rotational constant of 4.0/cm for this systems. Results are also presented for all the isotopomers containing D and He-3. The calculated levels may be of assistance in the detection of HeH2(+), both in the laboratory and in favorable regions of interstellar gas clouds. The isotope effects reported here may prove useful to astrochemists in the determination of the He-3/He-4 ratio.

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