INTERNAL PARAMAGNETIC PERTURBATION IN METAL PORPHYRIN SPECTRA.
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Date
1965
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Publisher
Ohio State University
Abstract
Recent extended Huckel calculations of large molecules have made available workable wavefunctions for both $\sigma$ and $\pi$ type molecular orbitals. This makes it possible to calculate the effect of a paramagnetic metal on the spectrum of the parent compound. We have examined the cases of Cobalt, Copper, and paramagnetic Nickel, and have obtained absorption intensities and the corresponding radiation lifetimes. The wavefunctions have also been checked against reported spin resonance slittings and these findings will be reported.
Description
Author Institution: Conant Chemical Laboratory, Harvard University