Mainz 1997 – wissenschaftliches Programm
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MO: Molekülphysik
MO 8: Poster I: Photoelektronen, Photodissoziation, Cluster, Methoden
MO 8.22: Poster
Dienstag, 4. März 1997, 16:00–18:00, Poster
The Structure of Regular and Mixed Alkali Halide Dimers — •R. Mawhorter1,2 and T. T"orring3 — 1Zentrum f"ur interdisziplin"are Forschung, Universit"at Bielefeld — 2Physics Dept., Pomona College, Claremont, California — 3Fachbereich Physik, Freie Universit"at Berlin
There has been much recent progress in our understanding of alkali halide dimers. The structure and dipole moment of the mixed alkali halide dimer LiNaF2 has been determined by two microwave spectroscopy experiments in Berlin as well as one at NIST [1]. A large number of both 7LiNaF2 and 6LiNaF2 lines have been observed and assigned to an asymmetric top model, and the results are all in good agreement with quantum chemistry calculations [2]. The resulting molecular force field [3] has been used to determine better mean amplitudes of vibration for a reanalysis of the electron diffraction data [4], which includes intramolecular multiple scattering effects. In addition, results from a recently developed polarizable ion model for alkali halides [5] and an anharmonic study of the bending mode of the NaCl dimer [6] will be presented.
[1] T. T"orring, et al., J. Chem. Phys., accepted.
[2] R.J. Cave, I. Ono, J. Chem. Phys. 99, 9764 (1993)
[3] R.J. Mawhorter, et al., J. Mol. Struct., accepted.
[4] J.G. Hartley, M. Fink, J. Chem. Phys. 89, 6058 (1988)
[5] T. T"orring, et al., J. Chem. Phys. 104, 8032 (1996)
[6] A. Frischknecht, R.J. Mawhorter, Mol. Phys., submitted.