@article {1069,
	title = {Molecules with large-amplitude torsional motion partially oriented in a nematic liquid crystal: Ethane and isotopomers},
	journal = {Journal of Physical Chemistry A},
	volume = {109},
	number = {48},
	year = {2005},
	note = {ISI Document Delivery No.: 990RPTimes Cited: 10Cited Reference Count: 48},
	month = {Dec},
	pages = {11027-11036},
	type = {Article},
	abstract = {An NMR study on ethane and five isotopomers dissolved in the nematic liquid crystal Merck ZLI 1132 is performed. A consistent set of dipolar and quadrupolar couplings is obtained. The dipolar couplings are corrected for harmonic vibrational effects, while the contribution from the torsional motion is incorporated classically. The corrected dipolar couplings cannot be understood in terms of a reasonable molecular structure unless effects of the reorientation-vibration interaction are taken into account. Assuming that the reorientation-vibration contributions that are known for the methyl group in methyl fluoride are transferable to ethane, excellent agreement between observed and calculated dipolar couplings is obtained on the basis of the ethane gas-phase structure. The observed and calculated deuterium quadrupolar couplings show discrepancies supporting the notion that average electric field gradients are important in liquid-crystal solvents. An important consequence of the transferability of the reorientation-vibration correlation is that in other molecules with a methyl group the same procedure as for ethane can be followed. Inclusion of this effect generally removes the need to interpret changes in observed dipolar couplings in terms of elusive chemical effects.},
	keywords = {ANISOTROPIC, ELECTRIC-FIELD GRADIENTS, ENVIRONMENTS, FORCE-FIELDS, H-2 NMR, NUCLEAR-MAGNETIC-RESONANCE, orientational order, POLYATOMIC-MOLECULES, ROTATION, SPECTRA, VIBRATIONS},
	isbn = {1089-5639},
	url = {<Go to ISI>://000233761200026},
	author = {Burnell, E. E. and de Lange, C. A. and Barnhoorn, J. B. S. and Aben, I. and Levelt, P. F.}
}
@article {3919,
	title = {Tritium nuclear magnetic resonance study of T-2, HT, and DT dissolved in nematic solvents},
	journal = {Physical Review E},
	volume = {55},
	number = {1},
	year = {1997},
	note = {ISI Document Delivery No.: WD545Times Cited: 5Cited Reference Count: 25Part A},
	month = {Jan},
	pages = {496-503},
	type = {Article},
	abstract = {A tritium nuclear magnetic resonance study is carried out on the T-2, HT, and DT isotopomers of dihydrogen dissolved in various nematic phases, including a zero-electric-field-gradient mixture. Ab initio calculations are performed to reproduce the observed dipolar couplings. Within the framework of the {\textquoteright}{\textquoteright}mean-field{\textquoteright}{\textquoteright} approximation, the results provide support for a picture in which two independent contributions to the solute orientation can be distinguished. One contribution involves a liquid-crystal-dependent interaction between the mean solvent electric-field gradient and the solute molecular quadrupole moment. The other contribution is of unknown origin; however, it is essentially identical in all liquid crystals and it can be modeled adequately with a phenomenological mean-field interaction. A remarkable feature of this second interaction is that it causes the average orientation of the asymmetrical isotopomers, and especially of HT, to behave differently from the symmetrical species.},
	keywords = {ELECTRIC-FIELD GRADIENTS, ENVIRONMENTS, LIQUID-CRYSTAL MIXTURES, MECHANISMS, METHANES, MOLECULAR-HYDROGEN, NMR, orientational order, SOLUTES},
	isbn = {1063-651X},
	url = {<Go to ISI>://A1997WD54500062},
	author = {Burnell, E. E. and de Lange, C. A. and Segre, A. L. and Capitani, D. and Angelini, G. and Lilla, G. and Barnhoorn, J. B. S.}
}
