Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
87 (1987), S. 6648-6652
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
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+2. The linear 4HeH+2 molecule is predicted to have an He–H+2 stretch fundamental of 732 cm−1 with the first J=0 excited bend at 960 cm−1. This isotopomer has no bound excited states of the H+2 vibrational mode. Calculations with J=1 and J=2 predict a rotational constant of 4.0 cm−1 for this system. Results are also presented for all the isotopomers containing D and 3He. The spectrum of this molecule is a good candidate for laboratory or astrophysical observation.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.453399
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