Determination of interatomic potentials for the X0(+), A0(+), and B1 states of HgKr from fluorescence and excitation spectra

We present an analysis of the A0(+)(6(3)P(1)) --> X0(+)(6(1)So) bound-bound and bound-free fluorescence spectrums and of the A0(+)(6(3)P(1)) <-- X0(+) (6(1)S(0)) and B1(6(3)P(1)) <-- X0(+)(6(1)S(0)) bound-bound excitation spec trum of the HgKr van der Waals molecule. The A --> X fluorescence spectrum, which was observed for the first time, as well as the excitation spectra w ere recorded using a pulsed supersonic molecular beam crossed with a pulsed dye laser beam. An analysis of the A(nu') <-- X(nu"), B(nu') <-- X(nu"), a nd A(nu' = 8) --> X(nu") bound-bound bands indicates that a Morse function combined with a long-range approximation represents the interatomic potenti al energy curve of the A, B,and X states below the dissociation limit. In t he simulation of the A (nu' = 8) --> X bound-free spectrum the Morse, Lenna rd-Jones (n-6), and Maitland-Smith (n(0), n(1))functions were tested, and t he Maitland-Smith (11.39, 10.50) potential was found to be a good represent ation of the repulsive part of the X-state PE curve above the dissociation limit, over the internuclear separation range R = 2.85-3.55 Angstrom. The s pectroscopic characteristics for the A, B, and X states obtained in this wo rk are compared with other available experimental and theoretical results. (C) 2001 Academic Press.