Interpretation and utilization for crystal stucture determination of ESR spectra of single crystals of nitroxide free radicals

Abstract
Since nitroxide free radicals are spin labelled molecules, we use their resonance spectra to get information about their crystallographic structure. ESR spectra of nitroxide single crystals (pyrroline, piperidine, and pyrrolidine) show only a single line. From the evolution of line position with crystal orientation we try to obtain information about the orientations of g tensors. Generally, we calculate the angles defining individual cc > NO groups orientations with an accuracy better than 5 deg. Principal g values are given for several nitroxides.

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