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.
期刊介绍：
ACS Applied Electronic Materials is an interdisciplinary journal publishing original research covering all aspects of electronic materials. The journal is devoted to reports of new and original experimental and theoretical research of an applied nature that integrate knowledge in the areas of materials science, engineering, optics, physics, and chemistry into important applications of electronic materials. Sample research topics that span the journal's scope are inorganic, organic, ionic and polymeric materials with properties that include conducting, semiconducting, superconducting, insulating, dielectric, magnetic, optoelectronic, piezoelectric, ferroelectric and thermoelectric.
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