The structure of the triplet excimer in hexachlorobenzene crystals - an endor study - Waldmann, J.; Von Schutz, J.U.; Wolf, H.C. (Elsevier)
The lowest triplet state T"1 of hexacholorobenzene (HCB) crystals doped with trichlorobenzene (TCB) is excimeric. By an ESR and ENDOR (^1H and ^3^5Cl) analysis it is shown that the triplet excimers are dimeric and located in one of the two stacks constituting the crystals with misorientation of 20^o. From H-ENDOR it is concluded that the dopant TCB is nearest neighbour and translationaily equivalent to the excimer. The same is true for the HCB molecule which is nearest neighbour on the other side of the excimer in the stack. From Cl-ENDOR orientation and size of the quadrupole tensor, spin density distribution, symmetry and orientation of the excimer are derived.
http://linkinghub.elsevier.com/retrieve/pii/0301-0104(85)80001-X
Keywords: V; U