Abstract
Single crystals of para-toluenesulfonate-substituted diacetylene (PTS) were irradiated by UV light at 4.2 K and subsequently annealed. Recooled to 4.2 K they contained stable bicarbenes as intermediate states of oligomers during solid-state polymerization. In their thermally activated quintet state one of these bicarbenes, characterized by a singlet-quintet splitting ΔESQ = 4.5 cm −1 was investigated by ENDOR. 22 different hyperfine tensors were calculated. They were assigned to the protons with the help of INDO MO calculations. The total spin is distributed over the entire Π-system of the oligomer which is terminated by two triplet carbenes.
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