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Tuning of the double-well potential of short strong hydrogen bonds by ionic interactions in alkali metal hydrodicarboxylates

机译:通过碱金属氢二羧酸盐中的离子相互作用调节短强氢键的双阱势

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摘要

Short strong hydrogen bonds within crystals of sodium and potassium hydrofumarates were investigated by means of high-resolution and multitemperature X-ray diffraction studies. Various parameters, including geometry data, displacement parameters and cation-anion interaction energy, are considered to discuss hydrogen atom disorder. The influence of cation-anion interactions, being mainly electrostatic in nature, on the H-bond peculiarities is discussed. Equations interlinking the distance and energy of metal-oxygen interactions are introduced for carboxylates of sodium and potassium.
机译:通过高分辨率和多温度X射线衍射研究,研究了富马酸钠和氢富马酸钾晶体中的短强氢键。考虑各种参数,包括几何数据,位移参数和阳离子-阴离子相互作用能,以讨论氢原子无序。讨论了本质上主要为静电的阳离子-阴离子相互作用对氢键特性的影响。对于钠和钾的羧酸盐,引入了将金属-氧相互作用的距离和能量相互关联的方程式。

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