1H-NMR study of 1,2,3- and 1,3,5-trichlorobenzenes simultaneously dissolved in liquid crystals:: structures and bond interaction tensors

The molecular structures and anisotropies of bond interaction tensors of 1,2,3- and 1,3,5-trichlorobenzenes in liquid crystals were investigated from H-1 nuclear magnetic resonance (NMR) spectra with C-13 satellites. The two solutes were dissolved simultaneously in each of four different liquid crystal solvents to make a critical comparison of bond interaction tensors. Dipolar coupling constants were corrected for molecular deformation according to the theory of Lounila and Diehl. The structures determined from the corrected dipolar coupling constants agree with the gas-phase structures. The anisotropies of the bond interaction tensors of 1,2,3-trichlorobenzene are similar to those of 1,3,5-trichlorobenzene. (C) 1998 Elsevier Science B.V. All rights reserved.