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The effect of intramolecular dipole-dipole interaction on polarisation at frequencies from 0 – 1012 Hz in dipolar media is investigated using a numerical solution of the Sturm-Liouville eigenvalue problem to which the governing Smoluchowski equation reduces. The results of Budó for the long-wavelength limit are extended to all frequencies up to the far infrared, where the predominant inertial effects are treated using a preliminary first-order correction. The numerical method of Pryce may be used to investigate much more realistic interaction potentials than the simple harmonic and cosine form considered by Budó. These simple forms are, however, sufficient to indicate that the integrated absorption intensity per molecule in the far infrared is very sensitive to dipole-dipole interaction and relative hydrodynamic drag on both interacting groups. Applications of the theory to the disordered solid and nematic phases are considered. 相似文献
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Alasdair A. MacDonald Sheila H. Dewitt Shomir Ghosh Eleonora M. Hogan Laura Kieras Anthony W. Czarnik Robert Ramage 《Molecular diversity》1996,1(3):183-186
Summary A major objective of the DIVERSOMER® technology is to provide pure and characterized compounds for biological testing in order to prevent false negatives in our libraries. On several occasions, analysis of the final products by1H-NMR and MS, has revealed by-products from the polystyrene solid support. Subsequently, three alternative methods were studied to remove polystyrene by-products; (i) prewashing of the resin prior to execution of the synthesis; (ii) pretreatment of the resin with the cleavage conditions consistent with the solid-phase synthesis reaction scheme; and (iii) parallel purification. 相似文献
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Geng-Shuen Wu I. C. Martinelli C. Dewitt Btanton Richard H. Cox 《Journal of heterocyclic chemistry》1977,14(1):11-17
The synthesis of N-methyl-3-aza[10]paracyclophane is reported which represents the first example of this ring system being formed via an acyloin reaction. This 3-aza[10]paraeyclophane ring system behaves physiochemically inbetween the normal [9]- and [10]paracyclophane ring systems. Reductive desulfurization of N-methyl-3-aza[10]paracyclophane-6-ethylene thioketal in ethanol provides a small amount of the title compound and an unexpected, ring-opened product, N-ethyl-N-methyl-p-heptylphenethylamine. A possible mechanism for the ring-opening process is suggested. 相似文献
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A computer algorithm is presented for the simulation of the effect of molecular tumbling on ESR spectra, and is applied to simulation of the conventional ESR signal (the absorption signal detected at the first harmonic of the modulation frequency and in-phase with the modulation frequency, in the limit of low microwave and modulation power) of axially symmetric 14N-nitroxide spin labels. The algorithm is extremely fast and is economical in terms of computer memory requirements. 相似文献
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