THEORY AND APPLICATION OF THE SPIN-ROTATION HAMILTONIAN IN A CASE (A) BASIS TO THE SINGLET- TRIPLET BANDS of SELENOFORMALDEHYDE

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1994

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Ohio State University

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The triplet stale spin-rotation Hamiltonian in a case (a) basis has been, extended to include the effects of rotational centrifugal distortion. A general least squares and band contour program has been written that allows the use of case (b) limit quantum numbers for Molecules that fall into the intermediate [case (ab)] coupling schemes. The application of this program to the rotational analysis of the singlet-triplet bands of selenoformaldehyde will be discussed will be discussed.

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Author Institution: Department of Chemistry, University of Wisconsin-Parkside; Department of Chemistry, University of Kentucky; Department of Chemistry, Brock University

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