@article {7119,
	title = {THE CONFORMATION OF 2,2{\textquoteright}-DITHIOPHENE IN NEMATIC SOLVENTS DETERMINED BY H-1-NMR},
	journal = {Molecular Physics},
	volume = {74},
	number = {5},
	year = {1991},
	note = {ISI Document Delivery No.: GY085Times Cited: 24Cited Reference Count: 26},
	month = {Dec},
	pages = {1027-1035},
	type = {Article},
	abstract = {In this paper we report a determination of the structure 2,2{\textquoteright}-dithiophene dissolved in different nematic liquid crystal solvents. The H-1-NMR spectra of this molecule dissolved in a 55\% Merck ZLI 1132/45\% N-(4-ethoxybenzylidene)-4{\textquoteright}-n-butylaniline (w/w) mixture are recorded at 300 and 304 K and are analysed. The dipolar coupling constants obtained are used to show that the solute molecule exists in both the s-cis and the s-trans conformations. The s-trans conformer is planar and the absolute value of the dihedral angle-PHI between the two thiophene ring planes for the s-cis conformer is found to be (24 +/- 1)degrees. Using the same method of analysis we reinterpreted two additional independent sets of published dipolar coupling constants from H-1-NMR spectra of 2,2{\textquoteright}-dithiophene dissolved in Merck Phase IV at room temperature and in 80\% N-(4-ethoxybenzylidene)-4{\textquoteright}-n-butylaniline/20\% O-carbobutoxy-4-oxybenzoic acid ethoxy phenyl ester at 301 K. These additional studies yield the same results for the structure of 2,2{\textquoteright}-dithiophene. We also estimate that in each of the three nematic solvents (61 +/- 3)\% of the solute 2,2{\textquoteright}-dithiophene exists in the s-trans state.},
	keywords = {2, 2{\textquoteright}-BITHIENYL, BARRIER, LIQUID-CRYSTALS, MOLECULES, orientational order, PHASE, SIZE, SOLUTES},
	isbn = {0026-8976},
	url = {<Go to ISI>://A1991GY08500007},
	author = {ter Beek, L. C. and Zimmerman, D. S. and Burnell, E. E.}
}
