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Dynamic Molecular Behavior and Cluster Structure of Octanoic Acid in Its Liquid and CCl<sub>4</sub>Solution

Dynamic Molecular Behavior and Cluster Structure of Octanoic Acid in Its Liquid and CCl<sub>4</sub>Solution
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摘要 Fatty acids such as oleic and stearic acids having a long hydrocarbon chain are known to exist as dimers in their melt and even in a non-polar solvent. In their melt the dimers arrange longitudinally and alternately to form clusters which resemble a smectic liquid crystal. The clusters determine the liquid properties of the fatty acids such as density, viscosity and fluidity. Then, do the dimers of fatty acid having a moderate-length hydrocarbon chain construct such the clusters? In the present study the dynamic molecular behavior and assembly structure of octanoic acid in its melt and also in CCl4 solution have been investigated by the X-ray diffraction, near infrared spectroscopy, 1H-NMR chemical shift, self-diffusion coefficient and 13C-NMR spin-lattice relaxation time measurements. From these results it has been revealed that the clusters of octanoic acid exist in its melt and also in CCl4 and that the clusters in the melt disintegrate with an increase in temperature. The dissociation profile of dimers of octanoic acid into monomers in CCl4 also has been clarified. Fatty acids such as oleic and stearic acids having a long hydrocarbon chain are known to exist as dimers in their melt and even in a non-polar solvent. In their melt the dimers arrange longitudinally and alternately to form clusters which resemble a smectic liquid crystal. The clusters determine the liquid properties of the fatty acids such as density, viscosity and fluidity. Then, do the dimers of fatty acid having a moderate-length hydrocarbon chain construct such the clusters? In the present study the dynamic molecular behavior and assembly structure of octanoic acid in its melt and also in CCl4 solution have been investigated by the X-ray diffraction, near infrared spectroscopy, 1H-NMR chemical shift, self-diffusion coefficient and 13C-NMR spin-lattice relaxation time measurements. From these results it has been revealed that the clusters of octanoic acid exist in its melt and also in CCl4 and that the clusters in the melt disintegrate with an increase in temperature. The dissociation profile of dimers of octanoic acid into monomers in CCl4 also has been clarified.
出处 《Food and Nutrition Sciences》 2013年第9期25-32,共8页 食品与营养科学(英文)
关键词 Octanoic ACID Oleic ACID Stearic ACID X-Ray Diffraction Near-Infrared Spectroscopy SELF-DIFFUSION Coefficient 13C-NMR Spin-Lattice Relaxation Time 1H-NMR Chemical Shift Octanoic Acid Oleic Acid Stearic Acid X-Ray Diffraction Near-Infrared Spectroscopy Self-Diffusion Coefficient 13C-NMR Spin-Lattice Relaxation Time 1H-NMR Chemical Shift
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