Abstract
Measurements and comparisons were performed at 4.2 K on the ESR g tensor both of a single crystal of bis-(tetramethyltetraselenafulvalenium) perchlorate, (TMTSF)2ClO4, and its acetone solution in which cations exist in the form of TMTSF+. The results showed that there was no wide difference between the g anisotropy of the single crystal and solution. This fact suggests that the electronic states of (TMTSF)+ can be used as a substitute for (TMTSF)2ClO4 as long as g factors are concerned. The g factors, calculated from molecular orbitals (MO) of a TSF+ cation which were computed using semi-empirical SCF method, were then fitted to those of the single crystal, and π-electron distribution was decided from the highest occupied MO.
