@article {2615,
	title = {Orientational order of near D-3h solutes in nematic liquid crystals. II. Description via Gay-Berne model with embedded quadrupoles},
	journal = {Journal of Chemical Physics},
	volume = {130},
	number = {15},
	year = {2009},
	note = {ISI Document Delivery No.: 437KLTimes Cited: 3Cited Reference Count: 19Sokolovskii, R. O. Burnell, E. Elliott},
	month = {Apr},
	pages = {6},
	type = {Article},
	abstract = {We perform Monte Carlo simulations of a mixture of soft ellipsoids with embedded quadrupoles as a model of various chloro- and methyl-substituted benzenes dissolved in nematic liquid crystals. We find that oblate Gay-Berne ellipsoids with multiple embedded quadrupoles qualitatively reproduce the trend in the order parameter asymmetry experimentally observed in NMR spectra. The trend is opposite to what is expected on the basis of the interaction of the solute{\textquoteright}s quadrupole with the solvent{\textquoteright}s average electric field gradient "felt" by dissolved dihydrogen molecules. We identify the specific minimum of the solute-solvent interaction energy landscape that may produce the unexpected sign of the order parameter asymmetry that is seen in the experiment and the simulation.},
	keywords = {COMPOUNDS, deuterium, dissolving, ELECTRIC-DIPOLE INTERACTIONS, LIQUID MIXTURES, liquid theory, METHODS, Monte Carlo, MONTE-CARLO SIMULATIONS, nematic liquid crystals, nuclear magnetic resonance, ORGANIC, POTENTIALS, SHAPE, SOLVENTS},
	isbn = {0021-9606},
	url = {<Go to ISI>://000265486300033},
	author = {Sokolovskii, R. O. and Burnell, E. E.}
}
@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 {1507,
	title = {Anomalous dynamic behavior of ions and water molecules in dilute aqueous solution of 1-butyl-3-methylimidazolium bromide studied by NMR},
	journal = {Chemical Physics Letters},
	volume = {427},
	number = {1-3},
	year = {2006},
	note = {ISI Document Delivery No.: 073OUTimes Cited: 4Cited Reference Count: 18Nakakoshi, Masamichi Ishihara, Shinji Utsumi, Hiroaki Seki, Hiroko Koga, Yoshikata Nishikawa, Keiko},
	month = {Aug},
	pages = {87-90},
	type = {Article},
	abstract = {Dynamic properties of 1-butyl-3-methylimidazolium bromide ([bmim]Br) in D2O were investigated by NMR. The diffusion coefficients of [bmim](divided by)and HDO were determined separately by the pulse field gradient method. The dynamics of Br- was estimated by the half-widths of the signals of Br-81-NMR. The results indicate that an anomalous dynamics, especially for [bmim](divided by), is evident in the region below similar to 0.1 M (0.0019 in the mole fraction of [bmim]Br). For [bmim](divided by) and HDO, maxima appeared in the curves of the diffusion coefficients plotted against the concentration. The relaxation time, T-2, for Br- showed a break in slope at this composition. Probable interpretations on these findings are presented. (c) 2006 Elsevier B.V. All rights reserved.},
	keywords = {1-PROPANOL, DIFFUSION, ELECTROLYTES, H2O, LIQUIDS, MIXTURES, SOLVENTS, SPECTROSCOPY},
	isbn = {0009-2614},
	url = {<Go to ISI>://000239753300018},
	author = {Nakakoshi, M. and Ishihara, S. and Utsumi, H. and Seki, H. and Koga,Yoshikata and Nishikawa, K.}
}
@article {1594,
	title = {Dideuterium as solute in nematic liquid crystals},
	journal = {Chemical Physics Letters},
	volume = {426},
	number = {1-3},
	year = {2006},
	note = {ISI Document Delivery No.: 067AMTimes Cited: 6Cited Reference Count: 14ter Beek, Leon C. Burnell, E. Elliott},
	month = {Jul},
	pages = {96-99},
	type = {Article},
	abstract = {Deuteron NMR experiments on dideuterium dissolved in the nematic liquid-crystal solvents 7CB, CCH7, MBBA and PCH7 are reported as a function of temperature. The results are analysed in terms of the average solvent electric field gradient anisotropy (efg) felt by D-2 which is positive with respect to the director in 7CB, CCH7 and PCH7 and negative in MBBA. The order parameter of D-2 is to a large extent rationalized in terms of the interaction between this solvent efg and the solute D-2 molecular quadrupole moment, and its sign is the same as that of the efg. (c) 2006 Elsevier B.V. All rights reserved.},
	keywords = {MOLECULAR-HYDROGEN, NMR, orientational order, SOLVENTS},
	isbn = {0009-2614},
	url = {<Go to ISI>://000239272400020},
	author = {ter Beek, L. C. and Burnell, E. E.}
}
@article {1202,
	title = {Effect of an "ionic liquid" cation, 1-butyl-3-methylimidazolium, on the molecular organization of H2O},
	journal = {Journal of Physical Chemistry B},
	volume = {109},
	number = {18},
	year = {2005},
	note = {ISI Document Delivery No.: 924MMTimes Cited: 46Cited Reference Count: 46},
	month = {May},
	pages = {9014-9019},
	type = {Article},
	abstract = {The excess partial molar enthalpy of 1-propanol (1P), H-1P(E), was measured at 28 \&DEG; C in the ternary mixture of 1P-1-butyl-3-methylimidazolium chloride ([bmim]Cl)-H2O in the H2O-rich composition range. From these data we evaluated what we call the 1P-1P enthalpic interaction function, H-1P-1P(E). Its changes induced by addition of (bmim]Cl of the pattern of H-1P-1P(E) were used as a probe to elucidate the effect of [bmim]Cl on the molecular organization of H2O. It was found that the effect of Cl- was not conspicuous within this methodology, and the observed dependence is predominantly due to the hydration of [bmim](+). The changes in the \&chi;(1P)-dependence of H-1P-1P(E) were compared with those brought about by temperature increase, or by the addition of fructose or glycerol. It was found that the effect of [bmim](+) is similar to that of fructose or increased temperature. We speculate that in the H2O-rich composition region a number of H2O molecules are attracted to the delocalized positive charge of the imidazolium ring and the bulk of H2O is influenced in such a manner that the global hydrogen bond probability is reduced.},
	keywords = {25-DEGREES-C, ALKANE-MONO-OLS, AQUEOUS-SOLUTIONS, fluctuations, HEXAFLUOROPHOSPHATE, MIXING SCHEMES, PARTIAL MOLAR ENTHALPIES, SOLVENTS, TERT-BUTANOL MIXTURES, WATER SOLUTIONS},
	isbn = {1520-6106},
	url = {<Go to ISI>://000228982900071},
	author = {Miki, K. and Westh, P. and Nishikawa, K. and Koga,Yoshikata}
}
@article {901,
	title = {Mixing schemes in ionic liquid-H2O systems: A thermodynamic study},
	journal = {Journal of Physical Chemistry B},
	volume = {108},
	number = {50},
	year = {2004},
	note = {ISI Document Delivery No.: 879CXTimes Cited: 78Cited Reference Count: 33},
	month = {Dec},
	pages = {19451-19457},
	type = {Article},
	abstract = {We studied the hydration characteristics of room-temperature ionic liquids (IL). We experimentally determined the excess chemical potentials, mu(i)(E), the excess partial molar enthalpies, H-i(E), and the excess partial molar entropies S-i(E) in IL-H2O systems at 25 degreesC. The ionic liquids studied were 1-butyl-3-methylimidazolium tetrafluoroborate ([bmim]BF4) and the iodide ([bmim]l). From these data, the excess (integral) molar enthalpy and entropy, H-m(E) and S-m(E), and the IL-IL enthalpic interaction, H-IL-IL(E), were calculated. Using these thermodynamic data, we deduced the mixing schemes, or the "solution structures", of IL-H2O systems. At infinite dilution IL dissociates in H2O, but the subsequent hydration is much weaker than for NaCl. As the concentration of IL increases, [bmim]l ions and the counteranions begin to attract each other up to a threshold mole fraction, x(IL) = 0.015 for [bmim]BF4 and 0.013 for [bmim]l. At still higher mole fractions, IL ions start to organize themselves, directly or in an H2O-Mediated manner. Eventually for x(IL) > 0.5-0.6, IL molecules form clusters of their own kind, as in their pure states. We show tha HI-L-IL, a third derivative of G, provided finer details than H-i(E) and S-i(E) second derivatives, which in turn gave more detailed information than H-m(E) and S-m(E), first derivative quantities.},
	keywords = {25-DEGREES-C, AQUEOUS SODIUM-CHLORIDE, ENTHALPIES, GLYCEROL, H2O, METHANOL, MIXTURES, MOLECULAR-ORGANIZATION, SOLVENTS, WATER},
	isbn = {1520-6106},
	url = {<Go to ISI>://000225695100058},
	author = {Katayanagi, H. and Nishikawa, K. and Shimozaki, H. and Miki, K. and Westh, P. and Koga,Yoshikata}
}
@article {5027,
	title = {Pressure-induced change in orientational order of solutes in liquid crystals},
	journal = {Chemical Physics Letters},
	volume = {337},
	number = {4-6},
	year = {2001},
	note = {ISI Document Delivery No.: 420BPTimes Cited: 1Cited Reference Count: 20},
	month = {Apr},
	pages = {248-254},
	type = {Article},
	abstract = {The H-1 and H-1 NMR spectroscopy of the nematic liquid crystal ZLI 1132 containing small amounts of the solutes 1,3,5- trichlorobenzene. p-dichlorobenzene and acetone was investigated as a function of the pressure of a mixture of molecular hydrogen and deuterium gases above the sample. A general increase of solute orientational order with pressure was observed. Differences in behavior of the orientational order of the hydrogens compared to the other solutes are discussed. (C) 2001 Elsevier Science B.V. All rights reserved.},
	keywords = {COMPUTER-SIMULATION, density, MAGNETIC-RESONANCE, MOLECULES, NEMATIC PHASE, NMR, SOLVENTS, TEMPERATURE-DEPENDENCE},
	isbn = {0009-2614},
	url = {<Go to ISI>://000167984300004},
	author = {Burnell, E. E. and de Lange, C. A. and Gaemers, S.}
}
@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 {4945,
	title = {Multiple quantum and high-resolution NMR, molecular structure, and order parameters of partially oriented ortho and meta dimethyl-, dichloro-, and chloromethylbenzenes codissolved in nematic liquid crystals},
	journal = {Journal of Magnetic Resonance},
	volume = {144},
	number = {1},
	year = {2000},
	note = {ISI Document Delivery No.: 313NCTimes Cited: 18Cited Reference Count: 62},
	month = {May},
	pages = {58-73},
	type = {Article},
	abstract = {We develop a strategy for analyzing complex nuclear magnetic resonance (NMR) spectra of several solutes codissolved in liquid-crystal phases. Spectral parameters of solutes m- or o-xylene were estimated by analyzing 2D multiple-quantum NMR spectra using a modified version of a least-squares fitting routine which adjusts chemical shifts, order parameters, structural parameters, and/or dipolar couplings independently. These estimates were used to facilitate analysis of the high-resolution spectra which contain resonances from many solutes. Calculated spectra of m- or o-xylene were subtracted from the experimental high-resolution spectra leaving resonances from the other solutes readily visible, Accurate spectral parameters of all codissolved solutes were determined from the high-resolution spectra. Order parameters and structural parameters (including vibrationally corrected parameters) of m- and o-xylene, m- and o-chlorotoluene, and m- and o-dichlorobenzene were calculated from the dipolar couplings. (C) 2000 Academic Press.},
	keywords = {ELECTRIC-DIPOLE INTERACTIONS, EXCITATION, INTERNAL-ROTATION, NUCLEAR-MAGNETIC-RESONANCE, orientational order, PHASE, POTENTIALS, SELECTIVE, SOLUTES, SOLVENTS, TRANSITIONS},
	isbn = {1090-7807},
	url = {<Go to ISI>://000087004900008},
	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 {4208,
	title = {Analyte-additive interactions in nonaqueous capillary electrophoresis: a critical review},
	journal = {Trac-Trends in Analytical Chemistry},
	volume = {17},
	number = {7},
	year = {1998},
	note = {ISI Document Delivery No.: 107HPTimes Cited: 54Cited Reference Count: 40},
	month = {Aug},
	pages = {424-434},
	type = {Review},
	abstract = {This article reviews the recent developments in nonaqueous capillary electrophoresis and discusses the effect of the solvent on analyte-additive interactions. When nonaqueous solvents are used, solvophobic interactions are generally weaker than those in water; therefore, those additives that can change the analyte mobility through electrostatic or donor-acceptor interactions should be further explored. (C) 1998 Elsevier Science B.V. All rights reserved.},
	keywords = {ANIONS, CHIRAL SEPARATION, cohesion energy, density, dielectric constant, electron donor-acceptor interaction, FORMAMIDE, ION, MEDIA, nonaqueous capillary electrophoresis, SEPARATION SELECTIVITY, solvent effect, SOLVENTS, SURFACTANTS, WATER, ZONE ELECTROPHORESIS},
	isbn = {0165-9936},
	url = {<Go to ISI>://000075202300022},
	author = {Bowser, M. T. and Kranack, A. R. and Chen, D. D. Y.}
}
@article {4141,
	title = {Dipole-induced ordering in nematic liquid crystals fact or fiction?},
	journal = {Chemical Physics Letters},
	volume = {281},
	number = {1-3},
	year = {1997},
	note = {ISI Document Delivery No.: YP239Times Cited: 18Cited Reference Count: 35},
	month = {Dec},
	pages = {199-206},
	type = {Article},
	abstract = {Similar size and shape molecules with different electric multipoles are used to investigate effects of dipole and quadrupole interactions on the average orientation of solutes in nematic liquid crystals. Permanent dipoles have a negligible influence on solute orientation. 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 [EFG] are consistent with experimental values. Calculated [EFG]{\textquoteright}s are the same sign and similar magnitude to those determined previously from D-2 and HD. For the nematic mixture 55wt\% ZLI 1132 in EBBA, the contribution to solute ordering from long-range electrostatic interactions is negligible. (C) 1997 Elsevier Science B.V.},
	keywords = {deuterium, ELECTRIC-DIPOLE, MECHANISMS, MOLECULAR-HYDROGEN, NMR-SPECTRA, orientational order, POTENTIALS, QUADRUPOLE-MOMENTS, SOLUTES, SOLVENTS},
	isbn = {0009-2614},
	url = {<Go to ISI>://000071256600030},
	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 {3930,
	title = {A temperature dependence study of small solutes in zero electric field gradient nematic liquid crystal mixtures},
	journal = {Molecular Physics},
	volume = {90},
	number = {3},
	year = {1997},
	note = {ISI Document Delivery No.: WK754Times Cited: 10Cited Reference Count: 50},
	month = {Feb},
	pages = {303-313},
	type = {Article},
	abstract = {The temperature dependences of the proton nuclear magnetic resonance (NMR) spectra of the solutes 1,3,5-trichlorobenzene, metadichlorobenzene, orthodichlorobenzene, 1,3-bromochlorobenzene, benzene and 2-butyne have been studied in the special {\textquoteright}zero electric field gradient{\textquoteright} mixtures 55wt\% 1132-N-(4-ethoxybenzylidene)-4{\textquoteright}-n-butylaniline (EBBA) and 70wt\% (4-n-pentyl)-4{\textquoteright}-cyanobiphenyl-EBBA. The order parameter matrices obtained for each solute from an analysis of the NMR spectra indicate that the solutes experience a similar anisotropic potential in both mixtures.},
	keywords = {BIAXIAL SOLUTE, CONFORMATIONAL EQUILIBRIUM, INTERNAL-ROTATION, MOLECULES, NORMAL-BUTANE, orientational order, POTENTIAL FUNCTION, RAMAN-SPECTRA, SHAPE, SOLVENTS},
	isbn = {0026-8976},
	url = {<Go to ISI>://A1997WK75400001},
	author = {Chandrakumar, T. and Burnell, E. E.}
}
@article {3630,
	title = {A multiple-quantum H-1 NMR study of conformational biasing of biphenyl in a nematic liquid crystal},
	journal = {Journal of Magnetic Resonance Series A},
	volume = {118},
	number = {2},
	year = {1996},
	note = {ISI Document Delivery No.: TZ082Times Cited: 24Cited Reference Count: 42},
	month = {Feb},
	pages = {264-271},
	type = {Article},
	abstract = {Multiple-quantum H-1 NMR spectroscopy was used to simplify the analysis of the complicated one-quantum spectrum of the 10-spin molecule biphenyl dissolved in a nematic solvent. An eight-quantum spectrum was analyzed to obtain estimates of all dipolar coupling constants and chemical shifts, which were used as a starting point to solve the one-quantum spectrum, The dipolar couplings from the one-quantum spectrum were used, in combination with those determined in a previous study using different liquid-crystal solvents, to obtain vibrationally corrected geometrical parameters and orientational order parameters, The effective internal rotational potential was found to be shifted slightly toward a more planar configuration relative to the gas-phase potential, with an equilibrium dihedral angle of 37 degrees. (C) 1996 Academic Press, Inc.},
	keywords = {BARRIER, DERIVATIVES, GASEOUS, INTERNAL-ROTATION, MIXTURES, MOLECULAR-STRUCTURE, PERDEUTERATED BIPHENYL, SOLVENTS, SPECTRA, SPECTROSCOPY, STATE},
	isbn = {1064-1858},
	url = {<Go to ISI>://A1996TZ08200013},
	author = {Chandrakumar, T. and Polson, J. M. and Burnell, E. E.}
}
@article {3573,
	title = {CHARACTERIZATION OF ATHABASCA ASPHALTENES BY SMALL-ANGLE X-RAY-SCATTERING},
	journal = {Fuel},
	volume = {74},
	number = {7},
	year = {1995},
	note = {ISI Document Delivery No.: RF970Times Cited: 36Cited Reference Count: 18},
	month = {Jul},
	pages = {960-964},
	type = {Article},
	abstract = {Colloidal dispersions of Athabasca asphaltenes in toluene were studied at room temperature by small-angle X-ray scattering (SAXS). Both 5\% and 15\% dispersions were found to be polydispersed spheres with the main distribution peak at a concentration-independent average radius of 33 Angstrom. The main distribution peak was skewed to the right, similar to a Schultz distribution. Owing to interparticle correlation, a small proportion of the particles could be interpreted as forming larger aggregates, the size of which appeared to decrease on increasing the concentration of dispersion.},
	keywords = {asphaltenes, COLLOIDAL DISPERSIONS, MACROSTRUCTURE, POLYDISPERSITY ANALYSIS, SAXS, SOLVENTS},
	isbn = {0016-2361},
	url = {<Go to ISI>://A1995RF97000002},
	author = {Xu, Y. N. and Koga,Yoshikata and Strausz, O. P.}
}
@article {3497,
	title = {FREQUENCY-SELECTIVE EXCITATION IN MULTIPLE-QUANTUM NMR},
	journal = {Journal of Magnetic Resonance Series A},
	volume = {112},
	number = {1},
	year = {1995},
	note = {ISI Document Delivery No.: QD079Times Cited: 18Cited Reference Count: 20},
	month = {Jan},
	pages = {1-6},
	type = {Article},
	abstract = {Orientation of molecules in liquid-crystalline solvents is a powerful tool for the study of molecular structure and orientation. However, the NMR spectra arising from even relatively small molecules oriented in such solvents can be so complex as to defy analysis. There is demonstrated here a frequency-selective modification of the basic multiple-quantum NMR experiment which is capable of measuring otherwise difficult-to-obtain information in favorable spin systems. (C) 1995 Academic Press, Inc.},
	keywords = {AUTOMATED-ANALYSIS, FORMALISM, MOLECULAR-STRUCTURE, nematic, PHASE, PULSE EXPERIMENTS, SOLVENTS, SPECTRA, SPECTROSCOPY},
	isbn = {1064-1858},
	url = {<Go to ISI>://A1995QD07900001},
	author = {Rendell, J. C. T. 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.}
}
@article {3177,
	title = {EQUATION-OF-MOTION FOR 2 COUPLED SPIN-1 NUCLEI UNDER A COHERENT AND RANDOM HAMILTONIAN},
	journal = {Physical Review B},
	volume = {50},
	number = {13},
	year = {1994},
	note = {ISI Document Delivery No.: PL412Times Cited: 8Cited Reference Count: 27},
	month = {Oct},
	pages = {9245-9257},
	type = {Article},
	abstract = {The time dependence of the density operator for two coupled spin-1 nuclei, such as dideuterium D2 and dinitrogen N-14(2), under the second rank intramolecular dipolar and the first rank spin-rotation Hamiltonians has been derived. It is shown that the relaxation rates for the ortho and para species are not identical. We report the five independent rates for the para and the 21 independent rates for the ortho species. Due to cross relaxation between spin orders which precess at a common frequency, the relaxation for the ortho configuration is not always single exponential. There are 15 cross-relaxation terms between certain spin orders for the ortho species in the slow-motion regime. The complexity of our coupled spin system is discussed for the solid and the Jeener-Broekaert echo sequences. The Zeeman spin-lattice relaxation rates R10 for ortho- and para-dideuterium have been measured experimentally in partially oriented nematic solvents at 304 K using H-2 NMR. The solvents used are PCH-7, 1132, and a 55 wt\% 1132/EBBA mixture. These oriented solvents make it possible to separate the resonances of the ortho and para configurations thereby facilitating the R10 determination directly without multiexponential analysis. The R10 of para-dideuterium is about twice that of ortho-dideuterium in all experiments. Using our calculated expressions for R10 based on quadrupolar, dipolar, and spin-rotation interactions, and performing the proper averaging over the rotational states, we obtain excellent agreement with our experimental results. Good agreement has been obtained with published low-temperature studies as well.},
	keywords = {D2, HD, LIQUID, MAGNETIC-RESONANCE, MOLECULES, relaxation, SOLVENTS, SPECTRA},
	isbn = {0163-1829},
	url = {<Go to ISI>://A1994PL41200032},
	author = {ter Beek, L. C. and Burnell, E. E.}
}
@article {3155,
	title = {A MULTIPLE-QUANTUM H-1-NMR STUDY OF PARTIALLY ORIENTED BIPHENYLENE},
	journal = {Journal of Magnetic Resonance Series A},
	volume = {106},
	number = {2},
	year = {1994},
	note = {ISI Document Delivery No.: MX197Times Cited: 23Cited Reference Count: 23},
	month = {Feb},
	pages = {223-228},
	type = {Article},
	keywords = {MOLECULES, SOLVENTS, SPECTRA, SPECTROSCOPY},
	isbn = {1064-1858},
	url = {<Go to ISI>://A1994MX19700011},
	author = {Polson, J. M. and Burnell, E. E.}
}
@article {2714,
	title = {ZERO ELECTRIC-FIELD GRADIENT MIXTURES FOR THE ELUCIDATION OF ORIENTATIONAL MECHANISMS},
	journal = {Liquid Crystals},
	volume = {13},
	number = {3},
	year = {1993},
	note = {ISI Document Delivery No.: KX191Times Cited: 22Cited Reference Count: 28},
	month = {Mar},
	pages = {319-343},
	type = {Article},
	abstract = {A novel zero electric field gradient nematic liquid crystal made up from two nematic liquid crystal components is employed as a solvent for a series of molecules ranging from small molecules to mesogens themselves. Nuclear magnetic resonance is used to determine the degree of order of the solute and solvent molecules. Results are compared to those obtained for two completely different zero electric field gradient nematic mixtures. The comparison strongly indicates that for a variety of molecules largely differing in size, shape and flexibility their degree of order can be described by a single orientation mechanism. This mechanism can be adequately modelled by a simple phenomenological mean field model based on the size and shape anisotropy of the dissolved species. The use of zero electric field gradient mixtures in combination with this mean field model allows the prediction of solute order parameters at approximately the 10 per cent level.},
	keywords = {ANISOTROPIC ENVIRONMENTS, METHANES, MOLECULES, NEMATIC LIQUID-CRYSTALS, NMR, ORDER, SIZE, SOLUTES, SOLVENTS},
	isbn = {0267-8292},
	url = {<Go to ISI>://A1993KX19100001},
	author = {Barnhoorn, J. B. S. and de Lange, C. A. and Burnell, E. E.}
}
