THE EFFECT OF TWO-ELECTRON SPIN-ORBIT COUPLING TERMS ON SINGLET-TRIPLET TRANSITION PROBABILITIES I. CARBONYL AND AZINE $n \rightarrow \pi^{\ast}$ PROMOTIONS.
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Date
1965
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Ohio State University
Abstract
This paper represents the first part of a study of the effect of two-electron spin-orbit coupling terms on singlet-triplet transition probabilities in light atoms and light atom containing molecules. The two-electron atomic spin-orbit coupling terms are comparable to the nuclear term for low atomic number including the second row. In the case where intensity can be stolen from N-V transitions which are doubly excited relative to the triplet state, use of a central field from of the spin-orbit Hamiltonian may be invalid for transition probability considerations. Calculations have been made for $n \rightarrow \pi^{\ast}S-T$ promotions in azines and carbonyl compounds illustrating that the two-electron terms cannot always be neglected in discussing molecular S-T transition probabilities. Supported by the National Science Foundation.
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Author Institution: Whitmore Chemical Laboratory, The Pennsylvania State University