Abstract
The orientation of the principal axes system was determined for a single mixed crystal of 1-methyl-2-thiouracil in a 1-methyluracil host using low-field ODMR spectroscopy. We find X = −5.075, Y = −0.711, and Z = +5.786 GHz for the spin-Hamiltonian, H/h = − XS 2 x - YS 2 y - ZS 2 z . The x and z principal axes were found to lie normal to the molecular plane and close to the CS bond direction, respectively. T z and T x are the shortest and longest-lived sublevels, respectively. The zero-field splittings can be accounted for by spin-orbit mixing of the 3(π-π*) sublevels of the phosphorescent state with low-lying 1,3(n-π*) states, which is significant because of the presence of the sulfur atom.
Published Version
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