@article {1068,
	title = {NMR as a tool in the investigation of fundamental problems in ordered liquids},
	journal = {Solid State Nuclear Magnetic Resonance},
	volume = {28},
	number = {2-4},
	year = {2005},
	note = {ISI Document Delivery No.: 998NHTimes Cited: 9Cited Reference Count: 49},
	month = {Sep},
	pages = {73-90},
	type = {Article},
	abstract = {An overview is presented of modern NMR techniques and a variety of experimental and theoretical tools employed in the study of solutes dissolved in liquid crystals. The NMR techniques involve multiple quantum and spectral subtraction methods, In addition, various experimental and theoretical tools are discussed, including: the theoretical background of observed order parameters; the use of,magic mixtures{\textquoteright} to separate orientational contributions; the reorientation-vibration interaction; the use of model calculations based on size and shape of the various solutes; and the use of computer simulations. Applications to the benchmark probe molecules hydrogen, methane, ethane, and butane and their isotopomers are treated. (c) 2005 Elsevier Inc. All rights reserved.},
	keywords = {ANISOTROPIC LIQUIDS, butane, ethane, H-2 NMR, HYDROGEN, INTERNAL-ROTATION, liquid crystal, METHANE, MOLECULES, MOLEKULAR-STATISTISCHE THEORIE, MULTIPLE-QUANTUM NMR, NEMATISCHEN KRISTALLINFLUSSIGEN PHASE, NMR, NUCLEAR-MAGNETIC-RESONANCE, order parameter, orientational order, PROTON DIPOLAR COUPLINGS, SMALL CHAIN},
	isbn = {0926-2040},
	url = {<Go to ISI>://000234325100003},
	author = {Burnell, E. E. and de Lange, C. A.}
}
@article {4191,
	title = {Ethylene ligand structures of Os(CO)(4)(C2H4) and Os-2(CO)(8)(C2H4) determined by H-1 NMR in liquid crystal solvents},
	journal = {Inorganic Chemistry},
	volume = {37},
	number = {8},
	year = {1998},
	note = {ISI Document Delivery No.: ZJ655Times Cited: 2Cited Reference Count: 69},
	month = {Apr},
	pages = {1720-1728},
	type = {Article},
	abstract = {The ethylene complexes Os-2(CO)(8)(mu-eta(1),eta(1)-C2H4) (1) and Os(CO)(4)(eta-C2H4) (2) have been studied by H-1 NMR in liquid crystal (nematic phase) solvents. For 1 or 2, three dipolar couplings were observed and assigned to intramolecular geminal, cis, and trans H-1-H-1 dipolar couplings. The H-1 NMR spectrum of Os(CO)(4)((CH2CH2)-C-13)(2-C-13) has also been analyzed and two additional C-13-H-1 dipolar couplinps have allowed determination of the absolute bond angles and relative bond lengths of the ethylene portion of 2 C-13. The observed dipolar couplings for 2-C-13 have been corrected for harmonic vibrations. A comparison of the ethylene geometry of 2 with that of other transition metal ethylene complexes and with free ethylene shows that the (C-2-H-4)Os unit of 2 is best described as a metallacyclopropane. Deuterium substitution is used to demonstrate liquid crystal NMR as a stereochemical probe. The H-1 NMR spectrum of Os-2(CO)(8)(mu-eta(1),eta(1)-(CH2CH2)-C-13) (1-C-13) has also been analyzed in a nematic phase solvent. The dimetallacyclobutane ring of 1-C-13 is best described as two rapidly interconverting ring-puckered conformers of C-2-symmetry. The liquid crystal NMR derived structural parameters for 1-C-13 are compared with those previously determined by neutron diffraction. The solution and solid-state structures are very similar. The ethylene complexes 1 and 2 are proposed as structural and spectroscopic models for ethylene chemisorbed on metal surfaces.},
	keywords = {ANISOTROPIC LIQUIDS, CHEMISORBED ETHYLENE, INTERNAL MOTION, METAL-SURFACES, NEMATIC PHASES, NEUTRON-DIFFRACTION, NUCLEAR MAGNETIC-RESONANCE, ORIENTED MOLECULES, SPIN DIPOLAR COUPLINGS, VIBRATIONAL MODEL},
	isbn = {0020-1669},
	url = {<Go to ISI>://000073238400007},
	author = {Bender, B. R. and Hembre, R. T. and Norton, J. R. and Burnell, E. E.}
}
@article {3487,
	title = {CONFORMATIONAL EQUILIBRIUM AND ORIENTATIONAL ORDERING - H-1-NUCLEAR MAGNETIC-RESONANCE OF BUTANE IN A NEMATIC LIQUID-CRYSTAL},
	journal = {Journal of Chemical Physics},
	volume = {103},
	number = {16},
	year = {1995},
	note = {ISI Document Delivery No.: TA441Times Cited: 25Cited Reference Count: 60},
	month = {Oct},
	pages = {6891-6902},
	type = {Article},
	abstract = {In this study we use multiple-quantum H-1-NMR spectroscopy to study butane, the simplest flexible alkane, dissolved in a nematic solvent. An analysis of the highly accurate H-1 dipolar coupling constants gives important information about conformational and orientational behavior, including the hans-gauche energy difference, E(tg), and the conformer probabilities and order parameters. An essential component of the analysis involves the use of mean-field models to describe the orientational ordering of solutes in a nematic solvent. Several models were found to adequately describe the molecular ordering, including the chord model of Photinos et al. [D. J. Photinos, E. T. Samulski, and H. Toriumi, J. Phys. Chem. 94, 4688 (1990)] and recent versions of a model proposed by Burnell and co-workers [D. S. Zimmerman and E. E. Burnell, Mel. Phys. 78, 687 (1993)]. It was found that E(tg) lies in the range 2.1-3.0 kJ/mol, which is significantly below most experimental estimates of the gas-phase value. An attempt to describe more realistically the conformational states by including torsional fluctuations about the rotational isomeric states did not significantly improve the quality of the fits or alter the results. Finally the anisotropic component of the solute-solvent interaction was found to perturb only marginally the conformational probabilities from the isotropic values. (C) 1995 American Institute of Physics.},
	keywords = {ALKYL CHAINS, ANISOTROPIC LIQUIDS, ELECTRON-DIFFRACTION, INTERNAL-ROTATION, MOLECULAR-DYNAMICS, N-BUTANE, NORMAL-HEXANE, POTENTIAL FUNCTION, PROTON DIPOLAR COUPLINGS, STATISTICAL-MECHANICS},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1995TA44100007},
	author = {Polson, J. M. and Burnell, E. E.}
}
