The NMR Spectrum and Total Geometry of Selenophene Determined in the Liquid Crystal Medium ZLI 1167

Article abstract of DOI:10.1002/mrc.1270190402

The calculated ¹²C, ¹³C and ⁷⁷Se spectra of selenophene have been reproduced from the observed proton NMR spectrum in the orienting medium Merck ZLI 1167, and the entire ring structure computed.The effects on structure of vibration, solvent dependence of couplings and temperature have been explored.Most notable was the observation of a substantial increase in the Se-C bond length, comparable to that previously reported for selenophenone in Merck Phase IV.