Comparison of diffusion and strong collision models for molecular reorientation in liquids: simulated electron spin resonance spectra for spin systems of varying multiplicity

Abstract

E.s.r. spectra for spin systems of different multiplicity have been simulated using diffusion and strong collision models for molecular reorientation. The strong collision parameter k has been varied in an attempt to find the best agreement between spectra simulated using the different models. In adopting complex values of k which give simulated spectra most similar to diffusion calculations, it is found that the variation in k is a function not only of correlation time but also of the multiplicity of the spin system and the magnitude of the spin interaction parameters.