THE ELECTRON SPIN DOUBLE GROUPS OF MOLECULAR SYMMETRY GROUPS

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1978

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Ohio State University

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The molecular symmetry group (whose elements consist of nuclear permutations with and without inversion) has been used for some years for classifying molecular states1,2 In the present work the electron spin double groups have been obtained. These groups are required for molecules having an odd number of electrons and strong spin-orbit coupling. The structure of these groups is found to be particularly interesting for molecules having internal rotation, and different double groups are obtained for a given molecule depending on which internal rotor the odd electron spin is coupled to. A detailed account of the molecular symmetry group and its use in classifying molecular states, together with a discussion of the spin double groups will appear shortly in a book3

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1 H. C. Longuet-Higgins, Mol. Phys., 6, 445 (1963). 2 P. R. Bunker, Vibrational Structure and Spectra, Vol. 3 (1975) page 1. 3 P. R. Bunker, 'Molecular Symmetry and Spectroscopy, Academic Press, in press.""


Author Institution: Herzberg Institute of Astrophysics, National Research Council of Canada

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