Y. Kameda, Misaki Kowaguchi, Y. Amo, T. Usuki, Kazuhiro Nawa, Taku J Sato
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引用次数: 0
摘要
通过 X 射线和中子衍射技术研究了 10 mol% NaFSA（FSA：双（氟磺酰）酰胺）-碳酸丙烯酯（PC）溶液的微观结构。通过对 10 摩尔 NaFSA-PC 溶液和纯液态 PC 分子间差分干扰项的最小二乘拟合分析，确定了 Na+ 的溶解结构。在本溶液中，平均有 6(1) 个 PC 分子参与 Na+ 的第一溶壳，分子间距为 rNaO = 2.26(7) Å，键角为 ∠Na+...O = C = 169(9)°。溶液中相邻 PC 分子之间的分子间相关性是通过同时对 H/D 同位素置换样品溶液的中子衍射数据中观察到的 H-H、H-X 和 X-X（X：除 H 原子外的其他原子）分子间部分结构因子进行最小二乘法拟合分析得出的。结果表明，最近相邻的 PC 分子具有反平行构型。
Local Structure of Concentrated NaFSA Solutions in Propylene Carbonate Studied by X-ray and Neutron Diffraction Methods
Microscopic structure of 10 mol% NaFSA (FSA: bis(fluorosulfonyl)amide) -propylene carbonate (PC) solution has been investigated by means of X-ray and neutron diffraction techniques. Solvation structure of Na+ has been determined from the least squares fitting analysis of X-ray intermolecular difference interference terms observed for 10 mol% NaFSA-PC solution and pure liquid PC. In the present solution, on the average, 6(1) PC molecules are involved in the first solvation shell of Na+ with intermolecular distance, rNaO = 2.26(7) Å and bond angle, ∠Na+…O = C = 169(9)°. Intermolecular correlation between neighboring PC molecules in the solution has been derived from the simultaneous least squares fitting analysis of observed H-H, H-X and X-X (X: atoms except for H) intermolecular partial structure factors determined from neutron diffraction data for H/D isotopically substituted sample solutions. An indication of anti-parallel configuration of the nearest neighbor PC molecules has been suggested.
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