SEMIQUANTITATIVE MODEL OF SPIN-ORBIT-COUPLING IN DOUBLET STATES AND ITS APPLICATION TO PHOTOELECTRON-SPECTRA OF DIATOMIC HALOGENS
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An algorithm for a model of the spinorbit coupling in doublet states of polyatomic molecules is presented. It is used to provide a complete and consistent interpretation of the photoelectron spectra of the diatomic halogens I2. Br2, IC1, and IBr. The success of the model in these systems and in some previously studied transition metal systems suggests that it may be of general utility to the experimentalist in the assignment and interpretation of the photoelectron spectra of molecules containing one or more heavy atoms. Copyright 1975 John Wiley & Sons, Inc.