摘要
本文研究了对称性的离子液体结构和熔点之间的关系,结构参数包括:阴离子的大小、阳离子取代基碳链的长度和取代基的性质.运用量子化学从头算方法优化了离子液体的结构.根据优化结果,深入探讨了结构参数影响熔点变化的根本规律.
In this paper, the relationship between melting points of symmetric ionic liquids and molecular structure were explored. Structural parameters include： the size of anionic, the carbon chain length of substituent and the nature of substituent. The structure of ionic liquids were optimized by means of ab initio quantum chemistry methods. According to the results of optimization, the impact of structural parameters on the melting point were deeply discussed.
出处
《江苏教育学院学报（自然科学版）》
2009年第3期9-12,共4页
Journal of Jiangsu Institute of Education(Social Science)
关键词
离子液体
熔点
阳离子
对称性
ionic liquid, melting point, cations, symmetry
