@article {2399,
	title = {Orientational order of near D-3h solutes in nematic liquid crystals},
	journal = {Journal of Chemical Physics},
	volume = {130},
	number = {15},
	year = {2009},
	note = {ISI Document Delivery No.: 437KLTimes Cited: 2Cited Reference Count: 49Danilovic, Zorana Burnell, E. Elliott},
	month = {Apr},
	pages = {11},
	type = {Article},
	abstract = {Solutes that are similar in size, have a shape that is close to D-3h symmetry but contain dissimilar substituent groups (methyl versus chloro, contributing different electrostatic interactions to the anisotropic intermolecular potential), are used to delineate the short- and long-range anisotropic intermolecular interactions that lead to solute orientational order in nematic liquid crystals. The short-range interactions should be similar for all solutes and for D-3h symmetry should yield a single independent order parameter, whereas the long-range interactions are expected to differ with solute. Short-range size and shape mechanisms account for solute orientational order measured in magic mixtures (e.g., 55 wt \% ZLI-1132/N-p-ethoxybenzylidene-p({\textquoteright})-n-butylaniline), whereas additional mechanisms are required in other nematic liquid-crystal solvents. The results obtained for long-range interactions cannot be rationalized in detail using simple mean-field models that incorporate solute dipoles, quadrupoles, or polarizabilities. The results suggest that details of the solute electrostatics may need to be incorporated into the description of the anisotropic intermolecular potential.},
	keywords = {AB-INITIO, ELECTRIC-FIELD GRADIENT, electrostatic, interactions, liquid crystals, LIQUID MIXTURES, liquid structure, MEAN TORQUE, molecular orientation, MOLECULAR-HYDROGEN, MONTE-CARLO SIMULATIONS, nematic, NMR, polarisability, POTENTIALS, SHAPE, SOLVENTS},
	isbn = {0021-9606},
	url = {<Go to ISI>://000265486300032},
	author = {Danilovic, Z. and Burnell, E. E.}
}
@article {2026,
	title = {Mechanisms of solute orientational order in nematic liquid crystals},
	journal = {Journal of Chemical Physics},
	volume = {128},
	number = {16},
	year = {2008},
	note = {ISI Document Delivery No.: 295DXTimes Cited: 7Cited Reference Count: 51Burnell, E. Elliott ter Beek, Leon C. Sun, Zhengmin},
	month = {Apr},
	pages = {10},
	type = {Article},
	abstract = {The order parameters of a number of different solutes dissolved in a number of different nematic liquid-crystal solvents are measured and compared. It is shown that the order parameters can all be rationalized with the ansatz that there exist two independent ordering mechanisms operating in the liquid crystals employed. With this ansatz it is possible to fit the experimental order parameters to better than 5\%. This opens the possibility of the accurate prediction of order parameters in ordered liquids. (c) 2008 American Institute of Physics.},
	keywords = {ELECTRIC-DIPOLE INTERACTIONS, electrostatic, FIELD GRADIENT, interactions, KRISTALLINFLUSSIGEN PHASE, MEAN TORQUE, MOLECULAR-STRUCTURE, MOLEKULAR-STATISTISCHE THEORIE, MONTE-CARLO SIMULATIONS, NMR, SOLVENTS},
	isbn = {0021-9606},
	url = {<Go to ISI>://000255456300083},
	author = {Burnell, E. E. and ter Beek, L. C. and Sun, Z. M.}
}
@article {4944,
	title = {Dipole-induced ordering in nematic liquid crystals. II. The elusive holy grail},
	journal = {Journal of Chemical Physics},
	volume = {113},
	number = {8},
	year = {2000},
	note = {ISI Document Delivery No.: 345AGTimes Cited: 23Cited Reference Count: 47},
	month = {Aug},
	pages = {3452-3465},
	type = {Article},
	abstract = {Similar size and shape molecules with different electric multipoles are used to investigate effects of molecular dipole, quadrupole, and polarizability interactions on the average orientational order of solutes in nematic liquid crystals. Solutes are codissolved in the same sample tube so that the orientational ordering among solutes can be directly compared and analyzed using mean-field models. Permanent dipoles have a negligible influence on solute orientational order. Effects from molecular polarizability interactions could not be separated from short-range interactions. However, order parameters predicted from strong, short-range repulsive forces coupled with interactions between the solute quadrupole and the average electric field gradient felt by the solute are consistent with experimental values. For the nematic mixture 55 wt\% ZLI 1132 in EBBA [N-(pethoxybenzylidene)-p{\textquoteright}-n-butylaniline] the contribution to solute ordering from long-range electrostatic interactions is negligible. (C) 2000 American Institute of Physics. [S0021-9606(00)52232-6].},
	keywords = {AB-INITIO, ELECTRIC-DIPOLE, HARD ELLIPSOIDS, MEAN TORQUE, MOLECULAR QUADRUPOLE-MOMENTS, MONTE-CARLO SIMULATIONS, NMR-SPECTRA, ORDER, ORIENTATIONAL, SOLUTES, SOLVENTS},
	isbn = {0021-9606},
	url = {<Go to ISI>://000088792800063},
	author = {Syvitski, R. T. and Burnell, E. E.}
}
@article {4676,
	title = {NMR and molecular structure of partially oriented mono and para methyl- and chlorobenzenes dissolved in nematic liquid crystals},
	journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie},
	volume = {77},
	number = {11},
	year = {1999},
	note = {ISI Document Delivery No.: 253FETimes Cited: 8Cited Reference Count: 69},
	month = {Nov},
	pages = {1761-1774},
	type = {Article},
	abstract = {Spectral parameters, order parameters, and structural parameters, including the vibrationally corrected r(alpha) structure of the partially oriented solutes p-xylene, p-chlorotoluene, p-dichlorobenzene, toluene, and chlorobenzene dissolved in three liquid crystal mixtures, are reported. For samples containing the three solutes p-xylene, p-dichlorobenzene, and 1,3,5-trichlorobenzene, multiple quantum (MQ) nuclear magnetic resonance was used to aid in the analysis of the complex high-resolution spectra of the g-xylene. The high-resolution spectra of 1,3,5-trichlorobenzene and p-dichlorobenzene were easily identified and analyzed once the calculated p-xylene spectrum was subtracted from the experimental one. The methyl groups of p-xylene, p-chlorotoluene, and toluene have similar geometries when the structure is determined from dipolar couplings corrected for harmonic vibrations.},
	keywords = {ELECTRIC-DIPOLE INTERACTIONS, EXCITATION, H-2 NMR, MAGNETIC-RESONANCE, MEAN TORQUE, molecular structure, MULTIPLE-QUANTUM NMR, nematic liquid crystal, NMR, ORDER MATRIX, order parameter, SELECTIVE, SOLUTES, SOLVENTS, SPECTRA},
	isbn = {0008-4042},
	url = {<Go to ISI>://000083545300009},
	author = {Syvitski, R. T. and Burnell, E. E.}
}
@article {4107,
	title = {Monte Carlo simulations of solute ordering in nematic liquid crystals: Shape anisotropy and quadrupole-quadrupole interactions as orienting mechanisms},
	journal = {Physical Review E},
	volume = {55},
	number = {4},
	year = {1997},
	note = {ISI Document Delivery No.: WV249Times Cited: 17Cited Reference Count: 51},
	month = {Apr},
	pages = {4321-4337},
	type = {Article},
	abstract = {Monte Carlo computer simulations were used to investigate the effects of shape anisotropy and electrostatic interactions as mechanisms for orientational ordering of solutes in nematic liquid crystals. The simulation results were analyzed in terms of two theories of solute ordering which derive mean-field orientational potentials from the intermolecular pair potential. In the calculations, solute and solvent molecular shapes were approximated by hard ellipsoids. Most simulations also incorporated the interaction between point quadrupole moments placed at the centers of the ellipsoids. In the hard-core systems, orientational order parameters and distribution functions were calculated for a collection of different solutes under a variety of conditions. A theory due to Terzis and Photinos [Mol. Phys. 83, 847 (1994)] was found to underestimate the effect of shape anisotropy on orientational ordering drastically. The introduction of an effective solvent packing fraction was unable to improve the predictive power of the theory significantly. The quadrupolar systems were used to investigate a mean-field model for solute ordering which considers an interaction between the solute molecular quadrupole moment with an average electric-field gradient. The simulations indicate that the electric-field gradient sampled by the solute is highly dependent on the properties of the solute, contrary to some experimental evidence. Further, the effects of the intermolecular quadrupolar interactions on orientational ordering and the electric-field gradient were analyzed using a mean-field potential derived here and based on the theory due to Emsley, Palke, and Shilstone [Liq. Cryst. 9, 649 (1991)]. This model was found to provide a qualitatively correct but quantitatively imprecise prediction of orientational ordering.},
	keywords = {acetylene, COMPUTER-SIMULATION, ELECTRIC-DIPOLE INTERACTIONS, HARD ELLIPSOIDS, MEAN TORQUE, MOLECULAR-HYDROGEN, NMR, orientational order, POTENTIALS, SOLVENTS},
	isbn = {1063-651X},
	url = {<Go to ISI>://A1997WV24900067},
	author = {Polson, J. M. and Burnell, E. E.}
}
@article {3270,
	title = {AN ORIENTATIONAL STUDY OF SMALL SOLUTES IN ZERO ELECTRIC-FIELD GRADIENT NEMATIC LIQUID-CRYSTAL MIXTURES},
	journal = {Journal of Physical Chemistry},
	volume = {99},
	number = {18},
	year = {1995},
	note = {ISI Document Delivery No.: QW705Times Cited: 2Cited Reference Count: 32},
	month = {May},
	pages = {7054-7059},
	type = {Article},
	abstract = {The solutes m-dichlorobenzene, o-dichlorobenzene. p-dichlorobenzene, o-dicyanzene, furan, tetrathiofulvalene, and fluorobenzene are studied in the zero electric field gradient mixtures 56.5 wt \% 1132/EBBA and 70 wt \% 5CB/EBBA using proton NMR. The two second-rank-order parameters obtained for each solute from analysis of the NMR spectra indicate that the solutes experience a similar anisotropic potential in both mixtures. The results are interpreted in terms of two models for the short-range anisotropic potential experienced by the solutes.},
	keywords = {ALKYL CHAINS, BEHAVIOR, DIPOLE INTERACTIONS, MEAN TORQUE, MOLECULES, PHASE, POTENTIALS, SHAPE, SIZE, SOLVENTS},
	isbn = {0022-3654},
	url = {<Go to ISI>://A1995QW70500043},
	author = {Chandrakumar, T. and Smith, L. and Burnell, E. E.}
}
