氘代水在室温离子液体中的效应：N,N-二乙基-N-甲基-N-2-甲氧基乙基铵四氟硼酸酯。

Deuterated water effect in a room temperature ionic liquid: N,N-diethyl-N-methyl-N-2-methoxyethyl ammonium tetrafluoroborate.

机构信息

Department of Materials Science and Engineering, National Defense Academy, Yokosuka 239-8686, Japan.

出版信息

J Phys Chem B. 2010 Mar 4;114(8):2834-9. doi: 10.1021/jp910947z.

PMID:20146512

Abstract

A deuterated water effect in the room temperature ionic liquid (RTIL) N,N-diethyl-N-methyl-N-2-methoxyethyl ammonium tetrafluoroborate, [DEME][BF(4)], is observed in its crystal domain structures; crystallization temperature, T(c); crystal superstructures; and volume contractions. The above effect, seen in [DEME][BF(4)]-0.9 mol % H(2)O mixtures, is reduced in 1.0 mol % 0.75 H(2)O x 0.25 D(2)O and 0.9 mol % 0.5 H(2)O x 0.5 D(2)O mixtures and is completely suppressed in 1.3 mol % D(2)O mixtures. Interestingly, T(c) decreased systemically with D substitutions of water. In contrast to the crystal state, it was found that there is no difference between H(2)O and D(2)O mixtures in the liquid state, on the basis of X-ray diffraction patterns. At around 80-90 mol % H(2)O, the intermolecular correlation of [DEME][BF(4)] as a local structure changes to that of bulk water.

摘要

在室温离子液体（RTIL）N,N-二乙基-N-甲基-N-2-甲氧基乙基铵四氟硼酸盐[DEME][BF4]的晶体域结构、结晶温度 T(c)、晶体超结构和体积收缩中观察到氘水效应。在[DEME][BF4]-0.9 mol% H2O 混合物中观察到的上述效应，在 1.0 mol% 0.75 H2O x 0.25 D2O 和 0.9 mol% 0.5 H2O x 0.5 D2O 混合物中减少，在 1.3 mol% D2O 混合物中完全抑制。有趣的是，T(c)随着水的氘取代而系统性降低。与晶体状态相反，根据 X 射线衍射图发现，在液态中，H2O 和 D2O 混合物之间没有区别。在大约 80-90 mol% H2O 时，[DEME][BF4]的分子间相关性作为局部结构发生变化，变为类似于体相水的结构。