@article {4109,
	title = {Fourier-transform microwave spectrum, structure, harmonic force field, and hyperfine constants of sulfur chloride fluoride, ClSF},
	journal = {Journal of Chemical Physics},
	volume = {106},
	number = {24},
	year = {1997},
	note = {ISI Document Delivery No.: XE593Times Cited: 3Cited Reference Count: 46},
	month = {Jun},
	pages = {10037-10047},
	type = {Article},
	abstract = {The rotational spectrum of sulfur choride fluoride, ClSF, has been observed for the first time in the frequency range 8-26 GHz by means of a pulsed molecular jet Fourier-transform microwave spectrometer. The unstable sample molecule has been prepared using a pulsed electrical discharge in jets containing a mixture of SF6 and SCl2 in Ne. Besides the parent species (ClSF)-Cl-35-S-32-F-19, the isotopomers (ClSF)-Cl-37-S-32-F-19 and (ClSF)-Cl-35-S-34-F-19 could be observed in natural abundance. Rotational constants and quartic centrifugal distortion constants as well as nuclear quadrupole coupling constants due to Cl-35 and Cl-37 and spin-rotation constants due to Cl-35, Cl-37, and F-19 are given. The data were used for the determination of r(0), r(Delta P), r(s) structural parameters. Additionally, the new data were used for the refinement of the molecular harmonic force field. Results from those harmonic force field calculations were applied in the evaluation of the ground-state average structure, r(z), and the estimation of the equilibrium structure, r(e). The r(s) structure is r(SF)=160.653(162) pm, r(SCl)=199.437(65) pm, and angle(ClSF)=100.732(81)degrees. The diagonal elements of the Cl-35/Cl-37 quadrupole coupling tensors have been obtained, and are interpreted in terms of the bonding at Cl-35/Cl-37. Negative F-19 spin-rotation constants suggest a close analogy of the electronic structures of CISF and SF2. (C) 1997 American Institute of Physics.},
	keywords = {(SF2)-S-32, DICHLORIDE, DIFLUORIDE, DIODE-LASER SPECTROSCOPY, F-19 SPIN, MONOFLUORIDE, POTENTIAL FUNCTION, QUADRUPOLE COUPLING-CONSTANTS, ROTATION, SCL2, SPECTROMETER},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1997XE59300006},
	author = {Preusser, J. and Gerry, M. C. L.}
}
@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 {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.}
}
