A fit to a recent ab initio potential surface for HeHHe+ is presented and discussed. Calculations of the rotation–vibration spectra are made using the variation method with this potential surface. The calculations are carried out for both the 1H and 2H(D) isotope of H and comparisons of the spectra and vibrationally averaged bond length are discussed for the two species. A study of the dissociation to He+HeH+ is made and ‘‘vibrational bonding’’ is investigated. It is found that this system is not vibrationally bound. The deuterium substituted species is more strongly bound.
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Lee et al. (1986) studied this question.
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