G. Celebre et al., INVESTIGATION OF INTERNAL AND EXTERNAL POTENTIALS ACTING ON BENZYL HALIDES DISSOLVED IN DIFFERENT NEMATIC SOLVENTS, Molecular physics, 83(2), 1994, pp. 309-326
The NMR spectra of C6H5CH2X (X = Cl, Br, I) dissolved in three differe
nt nematic liquid crystal solvents were analysed to investigate, using
the AP-ELS model, the internal and external potentials acting on the
solutes. The nematics [ZLI1132, I35 and a zero electric field gradient
mixture (55% ZLI1132:EBBA)] were selected to compare the effects depe
nding on the nature of the solvents on both potentials. The internal p
otential for the rotation around the exocyclic C-C bond shows minima l
ocated at phi = +/-90-degrees (C-X bond lies in a plane perpendicular
to the ring) and torsional barrier increasing with the steric hindranc
e of the halide (from X = Cl to X = I) and with the polarity of the so
lvent (I35 < the mixture < ZLI1132). Concerning the nature of the inte
ractions responsible for the orientational order to the solutes, the r
esults obtained from the AP method were analysed in a mean field appro
ach testing different hypotheses: it seems that the interaction betwee
n the polarizability tensor of the solutes and the electric field squa
red of the solvents plays a non-negligible role in the orientational m
echanism for this kind of compound.