dc.creator Chan, I. Y. en_US dc.creator Mushlin, R. A. en_US dc.date.accessioned 2006-06-15T14:07:01Z dc.date.available 2006-06-15T14:07:01Z dc.date.issued 1978 en_US dc.identifier 1978-TD-09 en_US dc.identifier.uri http://hdl.handle.net/1811/10614 dc.description $^{1}$ R.M. Hochstrasser, G. W. Scott, and A. H. Zewail, J. Chem. Phys., 58, 393 (1973): also in Mol. phys. (in press). $^{2}$ J. A. Mucha and D. W. Pratt, J. Chem. Phys., 66, 5339 (1977)."" en_US dc.description Author Institution: Department of Chemistry, Brandeis University en_US dc.description.abstract Spin distribution in the lowest triplet state of benzophenone has been an interesting problem foe $^research^{1,2}$ The debate centers on the extent of delocalization of the unpaired spin into the aromatic rings. Attempts to calculate spin densities have been hampered by the unavailability of excited state geometry. We have conducted an ENDOR investigation of benzophenone using both the proton and the carbonyl $^{13}C$. With this approach one can calculate the geometry and spin distribution simultaneously in a self-consistent manner. We have taken $4,4^{\prime}$ -dibromo-diphenylether as our host crystal. The $^{13} C$ experiment was difficult, but it distinguished between the choices of sign for the hyperfine tensor components. of Hochstrasser et. $al^{1}$ The proton ENDOR shifts are large in comparison with those in benzil, suggesting a substantially greater delocalization of the unpaired electrons. A quantitative model of spin distribution in benzophenone will be discussed. en_US dc.format.extent 128609 bytes dc.format.mimetype image/jpeg dc.language.iso English en_US dc.publisher Ohio State University en_US dc.title SPIN DENSITY OF TRIPLET BENZOPHENONE en_US dc.type article en_US
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