The stability of HeH3+ is examined using a basis of polarized Gaussian orbitals and four VBCI wavefunctions containing varying amounts of ionic, convalent, and correlation effects. The results indicate that HeH3+ is stable by about 100 cm−1 with respect to He and H3+. A previous SCF calculation yields the same prediction, although a previous CI calculation appeared to show HeH3+ to be unstable. Equilibrium geometry and vibrational frequencies of this ion are estimated. Mass spectrometric experiments below 140 °K are recommended to prove the stability of this ion.
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Poshusta et al. (1973) studied this question.
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