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首页> 外文期刊>Bulletin of the Chemical Society of Japan >Dynamics of the Hydration of Amino Alcohols and Diamines in Aqueous Solution
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Dynamics of the Hydration of Amino Alcohols and Diamines in Aqueous Solution

机译：水溶液中氨基醇和二胺的水合动力学

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摘要

The ~(17)O NMR spin-lattice relaxation times(T_1)of solvent water molecules in aqueous solutions of amino alcohols(AA),charged amino alcohols(AA+),and charged diamines(DA~(2+))were determined as a function of concentration at 298 K.The values of the dynamic hydration number,HDHN = n_h(tau_c~h/tau_c~0-1),were determined from the concentration dependence of T_1.The ratios(tau_c~h/tau_c~0)of the rotational correlation times(tau_c~h)of the water molecules around each solute molecule in the aqueous solutions to that of pure water(tau_c~0)were obtained from the "DHN and the hydration number(n_h),which was calculated from the water accessible surface area(ASA)of the solute molecule.The hydrophobic hydration is disturbed by the adjacent polar groups.The effect of disturbance decreases in the following order:NH_3~+ > OH > NH_2.The ASA dependence of the tau_c~h/tau_c~0 value for diamines(DA),AA,and diols decreases in the following order:DA > AA > diols.When DA and AA are in a charged state,this order is reversed,namely,diols > AA~+ > DA~(2+).The ther-modynamic quantities of hydration for AA and AA~+ are linearly dependent on their n_(DHN)values.
机译：溶剂水分子在氨基醇（AA），带电荷的氨基醇（AA +）和带电荷的二胺（DA〜（2+））的水溶液中〜（17）O NMR自旋晶格弛豫时间（T_1）确定为在298 K浓度下的一个函数。动态水合数HDHN = n_h（tau_c〜h / tau_c〜0-1）由T_1的浓度依赖性确定。比率（tau_c〜h / tau_c〜0）由“ DHN”和水合数（n_h）求得水溶液中每个溶质分子周围的水分子与纯水的旋转相关时间（tau_c〜h）与纯水的旋转相关时间（tau_c〜h）。从溶质分子的水可及表面积（ASA）开始，疏水水合受到相邻极性基团的干扰。干扰的影响按以下顺序降低：NH_3〜+> OH> NH_2.tau_c〜的ASA依赖性二胺（DA），AA和二醇的h / tau_c〜0值按以下顺序降低：DA> AA>二醇。当DA和AA处于充电状态时，这顺序相反，即二醇> AA〜+> DA〜（2 +）。AA和AA〜+的水合热力学量线性依赖于它们的n_（DHN）值。

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