Simulation of EPR and time resolved EPR lineshapes in partially ordered glasses

Simulation of magnetic resonance spectra of probes in partially ordered glasses requires in principle a numerical integration on the full set of three Euler angles Ohm=(alpha beta gamma) from a laboratory fixed to a molecule fixed reference frame. It is shown that it is possible to manage efficiently this problem by using the algebraic properties of the Wigner matrix elements. This analysis is applied to time resolved EPR (TREPR) spectra of a series of bis-adducts of C-60 in the ordered glass of a nematic liquid crystal solvent. A paramagnetic triplet state is created by light excitation and TREPR spectra are obtained with the external magnetic field set parallel or perpendicular to the director n of the mesophase. The preferred orientation in the mesophase of the triplet state zero field tensor is determined. (C) 2000 Elsevier Science B.V. All rights reserved.