Interpretation of cw-ESRspectra of p-methyl-thio-phenyl-nitronyl nitroxide in a nematic liquid crystalline phase
Literature Information
Alberto Collauto, Mirco Zerbetto, Marina Brustolon, Antonino Polimeno, Andrea Caneschi, Dante Gatteschi
In this paper we report on the characterization by continuous wave electron spin resonance spectroscopy (cw-ESR) of a nitronyl nitroxide radical in a nematic phase. A detailed analysis is performed by exploiting an innovative modeling strategy alternative to the usual spectral simulation approach: most of the molecular parameters needed to calculate the spectrum are evaluated a priori and the ESR spectrum is obtained by direct application of the stochastic Liouville equation. Allowing a limited set of fitting parameters it is possible to reproduce satisfactorily ESR spectra in the temperature range 260 K–340 K including the nematic-to-isotropic phase transition (325.1 K). Our results open the way to a more quantitative understanding of the ordering and mobility of nitronyl nitroxide radicals in nanostructured environments.
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