Triplet State Geometry of Hexachlorobenzene in Different Hosts at 1.6K

摘要

The zerofield parameters of the triplet state of hexachlorobenzene (HCB) in HCB x-traps and in hexamethylbenzene (HMB) are determined using PMDR methods. In HCB, D and E are found to be 4.66 and 0.89 GHz, respectively. The corresponding values in HMB are found to be 4.621 and 0.045 GHz. These results as well as the difference in the relative band intensities in the phosphorescence spectrum in the two hosts strongly suggest that the geometry of HCB deviates greatly from D(6h) symmetry in HCB crystal but only slightly in HMB crystal. (Author)