An explicit relationship between the dielectric anisotropy and the average electric field gradient in nematic solvents

Article Abstract:

The interaction between the electric quadrupole moment of a probe-solute and the average electric field gradient (EFG) of the nematic medium is investigated and a method is proposed to assess the correlation between the EFG and the macroscopic properties of the nematic medium. It is demonstrated that a direct relationship exist between the EFG of a nematic solvent and the dielectric permittivity of the medium and also with the quadrupole moment of the solute.

Analysis, Electric properties, Anisotropy, Electric fields, Twisted nematic liquid crystal displays

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Short-range molecular interactions governing the orientational ordering of apolar molecules dissolved in nematic solvents

Article Abstract:

A model carried out the ordering of apolar molecules dissolved in uniaxial mesophases where the interactions between the solute and the local medium were described on a molecular scale. The proposed model proved to be highly reliable and very effective tool for the description of orientational order when short-range interactions totally control the solute ordering.

Molecular dynamics, Chemistry, Physical and theoretical, Physical chemistry, Dissociation, Dissociation reactions

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Multitechnique investigation of conformational features of small molecules: the case of methyl phenyl sulfoxide

Article Abstract:

The study of conformational distribution of methyl phenyl sulfoxide is carried out using NMR in liquid crystal solvents and quantum chemical calculations. The results show the tendency of the molecule to favor conformations due to intramolecular interaction, where the conjugation energy results in its stabilization.

Usage, Nuclear magnetic resonance, Quantum chemistry, Chemical properties, Methyl groups, Methyl compounds

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