Abstract
Spectroscopic studies of pure and isotopic mixed benzene crystals have shown that for the S 1 ← S 0 transition (i) the resonance interactions in pure C 6H 6 and C 6D 6 are identical; (ii) the effects of the static (binding) forces are the same in pure C 6H 6 and C 6D 6 crystals; and (iii) the gas-to-crystal shift of a dilute guest in an isotopic mixed crystal is different from that of the host. These results provide a consistent explanation of the differences between calculated and experimental spectra of heavily doped isotopic mixed benzene crystals.
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