MOLECULAR-DYNAMICS - H-1 AND C-13 NMR-SPECTRA OF 1,4-DICHLORO-2-BUTYNE IN ISOTROPIC AND ORIENTED PHASES

H-1 and C-13 NMR spectra of 1,4-dichloro-2-butyne in CDCl3 and in nema tic phase ZLI1114 solutions have been analysed. The shielding tenser a nisotropy of acetylenic carbons, Delta sigma=233+/-10 ppm, has been fo und. Moreover, the longitudinal relaxation times and NOE coefficients of the C-13 nuclei of the investigated compound in CDCl3 have been mea sured in three different magnetic fields. On the basis of these data t he rotational diffusion coefficients, D-parallel to=2.5+/-0.5x10(11) s (-1) and D-perpendicular to =2.1+/=0.3x10(10) s(-1), have been calcula ted.