ANALYSIS OF PERTURBATIONS OBSERVED IN THE FT SPECTRA OF $CuCl_{2}$

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1997

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Ohio State University

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Abnormally large e-f separations have been observed in the (v1,0,v3) levels of the ground X2Πg(3/2), state of CuCl2 about 2500cm−1 above the lowest vibrational level (0,0,0). The largest splitting are accompanied by extra lines in the dispersed fluorescence spectra. Some of the extra lines have resolvable Cu hyperfine structure; they are assigned as transitions to levels winch result from mixing essentially between 2Πg(1/2) and a nearby 2Σg state. We have used an effective Hamiltonian to model the 2Π2Σ interaction and derived molecular constants for the unknown 2Σ state using a non-linear least-squares fitting routine. Taking an arbitrary value of the spin-orbit parameter AΠ of-300cm−1, we estimate the 2Σ state to lie around 3000cm−1 above the (0,0,0) level of the X2Πg(3/2) ground state.

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Author Institution: Laboratoire de Spectrom'etrie Ionique et Mol'eculaire, CNRS et Universit'e Lyott-I (UMR 5579), Campus la Doua; Physical and Theoretical Chemistry Laboratory, Oxford University

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