H-1-NMR STUDY OF 1,2,3-TRICHLOROBENZENES 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 investig ated from H-1 nuclear magnetic resonance (NMR) spectra with C-13 satel lites. The two solutes were dissolved simultaneously in each of four d ifferent liquid crystal solvents to make a critical comparison of bond interaction tensors. Dipolar coupling constants were corrected for mo lecular deformation according to the theory of Lounila and Diehl. The structures determined from the corrected dipolar coupling constants ag ree with the gas-phase structures. The anisotropies of the bond intera ction tensors of 1,2,3-trichlorobenzene are similar to those of 1,3,5- trichlorobenzene. (C) 1998 Elsevier Science B.V. All rights reserved.