Dynamics of the Hydration of Halogenoalcohols in Aqueous Solution
| Autor: | Tatsuya Ashida, Shoichi Okouchi, Shinobu Sakaguchi, Kazushi Tsuchida, Hisashi Uedaira, Yoshimasa Ishihara |
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| Rok vydání: | 2002 |
| Předmět: | |
| Zdroj: | Bulletin of the Chemical Society of Japan. 75:59-63 |
| ISSN: | 1348-0634 0009-2673 |
| DOI: | 10.1246/bcsj.75.59 |
| Popis: | The 17O NMR spin-lattice relaxation times (T1), of the solvent water in aqueous solutions of halogenoalcohols were determined as a function of the concentration at 298 K. The values of the dynamic hydration number, nDHN ≡ nh(τch/τc0 -1), were determined from the concentration dependence of T1. In order to investigate the effect of the halogen atom on hydrophobic hydration, the ratios (τch/τc0), of the rotational correlation times,(τch), of water molecules around the solute to those of pure water,(τc0), were estimated from the nDHN and the coordination numbers (nh), which were calculated from the water-accessible surface area (ASA) of the solute molecule. (i) The τch/τc0 value decreased in the order EtOH > IEtOH ≥ BrEtOH ≥ ClEtOH > FEtOH for monohalogenoethanols, EtOH ≥ Cl3EtOH > Cl2EtOH ≥ ClEtOH and EtOH ≥ F3EtOH > FEtOH for polyhalogenoethanols, and PrOH > ClPrOH and i-PrOH > (CF3)2CHOH for halogenopropanols. (ii) The ASA dependence of the τch/τc0 value for chloroethanols was smaller than that for fluoro... |
| Databáze: | OpenAIRE |
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