The spin density distribution in some phenyl substituted imidazyl and pyrryl radicals |
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| Authors: | Robert D. Allendoerfer Allan S. Pollock |
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| Affiliation: | Department of Chemistry , State University of New York at Buffalo , Buffalo, New York, 14214 |
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| Abstract: | ENDOR spectroscopy has been used to interpret the E.S.R. spectra of the 2,4,5-triphenylimidazyl, tetraphenylpyrryl, tetrakis (p-tolyl) pyrryl, tetrakis (p-anisyl) pyrryl radicals. Using the hyperfine coupling constants thus obtained in conjunction with a McLachlan-type HMO calculation the spin density distribution in these radicals is calculated. The configuration of the phenyl rings and the deviation of their bond lengths from hexagonal symmetry is inferred from the MO parameters required to fit the experimental couplings. |
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