Hyperfine Coupling Constants
نویسنده
چکیده
The IH hyperfine coupling constants of free radicals and ions have been successfully studied by our newly modified s-p· separation type INDO-MO method->, and the most of our calculated coupling constants are significantly better than the corresponding results of the conventional INDO-MO method."" The nuclear hyperfine coupling constant is assumed to be directly proportional to the 2s spin density for the cases of elements nitrogen, oxygen and fluorine. Linear correlation study between spin densities and the isotropic hyperfine coupling eonstants of 14N,170 and 19Fhave been carried out for the related free radicals and ions. In the 170 and 19Fcases, both our results are better than the corresponding resu1ts of the conventional INDO-MO mcthod." The statistical results of 14Ncase are quite similar to the corresponding results of Pople et a1.6
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تاریخ انتشار 2016