PRECISE DETERMINATION OF THE B AND C STATES OF XeF FROM A DEPERTURBATION ANALYSIS OF THE $B \rightarrow X$ SPECTRUM OF $^{136}$ XeF

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2002

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Ohio State University

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The B(1/2) and C(3/2) ion-pair excited states of XeF are coupled by the rotational Hamiltonian, producing perturbations in the rotational structure of BX(2Σ+) transitions involving v levels <5. A number of vv bands in the BX emission spectrum of the single isotopomer 136Xe19F are analyzed by a deperturbation model to yield improved spectroscopic descriptions of the low-v regions of the B and C states. The C state lies 797cm−1 below the B state, with Re=2.473\AA. The electronic perturbative coupling element for B-C interactions is 6% below the simple Hund's case c-based prediction and just 3% greater than an estimate obtained from a more elaborate case-a approach.

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Author Institution: Department of Chemistry, Vanderbilt University

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