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Analysis of Nuclear Magnetic Resonance Spectra of Molecules in Liquid‐Crystal Solvents
1.G. W. Gray, Molecular Structure and the Properties of Liquid Crystals (Academic Press Inc., New York, 1962).
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5.It has been found that the solvent referred to as p, ‐di‐n‐hexyloxyazoxybenzene in this study and in Ref. 4 is a mixture of n‐hexyloxy and methoxy derivaties.
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13.As this manuscript was being completed, Saupe published convincing evidence that the linewidth variation is due to temperature inhomogeneities in the sample. A. Saupe, Z. Naturforsch. 20a, 572 (1965).
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15.The geometry adopted is prepared from the author’s chemical intuition plus tabulated molecular structures and bond lengths in books above his desk. It is anticipated that this is the way most guessed geometries will be prepared.
16.In our computations of spectra, the Zeeman term for fluorine in Eq. (2) was computed as that of a proton having a chemical shift of instead of the more appropriate value of We estimate this may have introduced errors of 1 cps in computed line positions, but it prevented more serious roundoff errors by our single precision diagonalization routine.
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24.Presented by L. C. Snyder and R. L. Kornegay as a paper entitled “The Determination of Molecular Structure by Computer Simulation of NMR Spectra in Liquid Crystal Solvents” to be presented at the American Chemical Society Symposium on Ordered Fluids and Liquid Crystals in Atlantic City, New Jersey, September 1965.
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