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通过振动斯塔克效应光谱法和分子动力学模拟确定离子液体中的固有电场。

Intrinsic electric fields in ionic liquids determined by vibrational Stark effect spectroscopy and molecular dynamics simulation.

机构信息

Center for Green Chemistry and Catalysis, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000, PR China.

出版信息

Chemistry. 2012 Sep 17;18(38):11904-8. doi: 10.1002/chem.201201257. Epub 2012 Aug 21.

DOI:10.1002/chem.201201257
PMID:22907797
Abstract

The electric fields of ionic liquids are only slightly higher than those of common molecular solvents, and are strongly structure-dependent; they noticeably decrease with anion size because of increased separation of ions, and slightly decrease as the alkyl chain elongates due to increasing spatial heterogeneity. These were the key results of vibrational Stark effect spectroscopy and molecular dynamics simulations.

摘要

离子液体的电场强度仅略高于常见分子溶剂,并且强烈依赖于结构;由于离子分离增加,阴离子尺寸的增加会导致电场强度明显降低,而由于空间异质性的增加,烷基链的延长会导致电场强度略有降低。这些是振动斯塔克效应光谱和分子动力学模拟的关键结果。

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