Industrial & Engineering Chemistry Research · 2003 · 36 citations · 31 references
Natural SciencesChemistryMaterials ScienceComputational ChemistryPhysical ChemistrySpectroscopyChemical BondingIntermolecular ForcesIntermolecular InteractionsLiquid CrystalsMolecular BondingSolution ChemistryChemical Bonding In CrystalsDissolution StabilityDye PropertiesHydrogen Bonding EffectsHydrogen Bonding In CrystalsHydrogen Bonding InteractionsHydrogen-bonded MaterialsLiquid Crystal Displays
Hydrogen bonding plays an important role in the performance of liquid crystal displays (LCDs) by controlling the solubility and dissolution stability of dichroic dyes in the liquid crystal medium, for guest-host type LCDs. The hydrogen-bonding behaviors of 4-pentyl-4‘-cyanobiphenyl (5CB) (liquid crystal), benzonitrile, and acetonitrile, with 1-hexanol in CCl 4 were studied using FTIR spectroscopy, equations of state, and ab initio calculations. In all three mixtures, the −OH group acts as a hydrogen-bond donor, and the −CN group acts as a hydrogen-bond acceptor. On the basis of FTIR analysis, the enthalpy of hydrogen-bond formation is observed to be −14.7 kJ/mol for 1-hexanol/acetonitrile, −5.4 kJ/mol for 1-hexanol/benzonitrile, and −4.6 kJ/mol for 1-hexanol/5CB. The entropy of hydrogen-bond formation is more favorable for 1-hexanol/5CB than for 1-hexanol/acetonitrile or 1-hexanol/benzonitrile. Trends in the spectroscopic results agree with ab initio calculations. Lattice fluid hydrogen-bonding parameters also were obtained from the spectroscopic data.
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Molecular thermodynamics of fluid-phase equilibria
J. S. Rowlinson · The Journal of Chemical Thermodynamics · 1970 · 5.5K citations
Natural Sciences, Chemistry, Physics +14