具有动态无序氢键的新型超质子晶体:随着温度升高的阳离子替代

E. Selezneva, I. Makarova, I. Malyshkina, N. D. Gavrilova, V. Grebenev, V. K. Novik, V. Komornikov
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引用次数: 11

摘要

研究了在不同K:NH4浓度比的溶液中,在K3H(SO4)2 - (NH4)3H(SO4)2 - h2o体系中生长新的单晶。根据x射线衍射数据,在室温下确定了晶体的原子结构,并考虑了H原子。在高温下(NH4)3H(SO4)2的超质子相等环境条件下,[K0.43(NH4)0.57]3H(SO4)2晶体呈三角形。晶体中K和N原子的分布是根据K/N位置的精确占有率来模拟的。在223-353 K温度范围内的介电性质研究表明,晶体的高电导率值与已知的超质子化合物在高温下的电导率相当,并且在冷却时对应于向低电导率相转变的异常。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
New superprotonic crystals with dynamically disordered hydrogen bonds: cation replacements as the alternative to temperature increase
Investigations of new single crystals grown in the K3H(SO4)2–(NH4)3H(SO4)2–H2O system from solutions with different K:NH4 concentration ratios have been carried out. Based on the X-ray diffraction data, the atomic structure of the crystals was determined at room temperature taking H atoms into account. It has been determined that [K0.43(NH4)0.57]3H(SO4)2 crystals are trigonal at ambient conditions such as the superprotonic phase of (NH4)3H(SO4)2 at high temperature. A distribution of the K and N atoms in the crystal was modelled on the basis of the refined occupancies of K/N positions. Studies of dielectric properties over the temperature range 223–353 K revealed high values of conductivity of the crystals comparable with the conductivity of known superprotonic compounds at high temperatures, and an anomaly corresponding to a transition to the phase with low conductivity upon cooling.
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