Molecular Rydberg transitions. Intermediate coupling in simple bromides |
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| Authors: | WS Felps GL Findley SP McGlynn |
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| Institution: | 1. The Choppin Chemical Laboratories, Louisiana State University, Baton Rouge, Louisiana 70803, USA;2. Physikalisches Institut, Universität Bonn, 5300 Bonn 1, FRG |
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| Abstract: | An intermediate coupling analysis of the low-energy π → σ Rydberg transitions of hydrogen bromide, cyanogen bromide, acetylene bromide and alkyl bromides is presented. Exchange and spin-orbit coupling parameters are calculated and their variations discussed. The Br 5s orbital is delocalized in the larger alkyl bromides and Br 4p is heavily involved in π bonding in acetylene and cyanogen bromides. |
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