Predicted vibration--rotation levels of H/sub 2/He/sup +/ and its isotopomers

Journal Article · Tue Dec 01 00:00:00 EST 1987 · J. Chem. Phys.; (United States)

OSTI ID:6062448

Tennyson, J; Miller, S

Variational bound state nuclear motion calculations are performed on a fitted (Joseph and Sathyamurthy, J. Chem. Phys. 86, 704 (1987)) ab initio surface for HeH/sup +//sub 2/. The linear /sup 4/HeH/sup +//sub 2/ molecule is predicted to have an He--H/sup +//sub 2/ stretch fundamental of 732 cm/sup -1/ with the first J = 0 excited bend at 960 cm/sup -1/. This isotopomer has no bound excited states of the H/sup +//sub 2/ vibrational mode. Calculations with J = 1 and J = 2 predict a rotational constant of 4.0 cm/sup -1/ for this system. Results are also presented for all the isotopomers containing D and /sup 3/He. The spectrum of this molecule is a good candidate for laboratory or astrophysical observation.

• Research Organization: Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom
• OSTI ID: 6062448
• Journal Information: J. Chem. Phys.; (United States), Vol. 87:11
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
HELIUM HYDRIDES
ROTATIONAL STATES
VIBRATIONAL STATES
INFRARED SPECTRA
INTERSTELLAR GRAINS
MOLECULAR IONS
CHARGED PARTICLES
ENERGY LEVELS
EXCITED STATES
HELIUM COMPOUNDS
HYDRIDES
HYDROGEN COMPOUNDS
IONS
PARTICLES
RARE GAS COMPOUNDS
SPECTRA
640302* - Atomic
Molecular & Chemical Physics- Atomic & Molecular Properties & Theory