ANALYTIC POTENTIAL-ENERGY FUNCTION FOR DOUBLY-CHARGED IONS HBE2+, HB2+, AND HF2+

It is well known that the potential curve of ground state for almost a ll neutral diatomic molecules has only one minimum. However, the doubl y charged diatomic ions may have both potential minimum and maximum or singly repulsive branch. In order to describe the potential of this k ind of diatomic ions, two of the authors Zhu and Wang have proposed a new analytical potential function with four parameters a(i) (i=1,...,4 ), and rho = R - R-min for those with both minimum and maximum, and rh o = R for those with singly repulsive branch. The present work has der ived this new potential function for HBe2+ with R-min = 0.182 nm, R-ma x = 0.335 nm and Delta E = E-max - E-min = 0.84 eV, and for HB2+ with R-min = 0.147 nm, R-max = 0.185 nm and Delta E = E-max - E-min = 0.062 eV. It is found that the potential for HF2+ is one with singly repuls ive branch. The dissociation limits, parameters a(i)(i=1,...,4), force constants and spectroscopic data of these ions all are given out.