|本期目录/Table of Contents|

[1]田国才,李亚东,焦志良.烷基咪唑六氟磷酸离子液体结构与性质的关系研究[J].有色金属科学与工程,2010,(02):3-10.
 TIAN Guo-cai,LI Ya-dong,JIAO Zhi-liang.On the Structure and Properties of 1-alkyl-3-methylimidazoliumHexafluorophosphates [Cnmim] PF6 Ionic Liquids[J].,2010,(02):3-10.
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烷基咪唑六氟磷酸离子液体结构与性质的关系研究(/HTML)
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《有色金属科学与工程》[ISSN:1674-9669/CN:36-1311/TF]

卷:
期数:
2010年02期
页码:
3-10
栏目:
本刊特稿
出版日期:
2010-04-30

文章信息/Info

Title:
On the Structure and Properties of 1-alkyl-3-methylimidazolium Hexafluorophosphates [Cnmim] PF6 Ionic Liquids
作者:
田国才 李亚东 焦志良
昆明理工大学冶金与能源工程学院,昆明 650093
Author(s):
TIAN Guo-cai LI Ya-dong JIAO Zhi-liang
Faculty of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming 650093, China
关键词:
离子液体烷基咪唑六氟磷酸盐几何结构密度泛函理论结构与性质的关系
分类号:
O641 
DOI:
-
文献标志码:
A
摘要:
应用B3LYP/6-31+G(d,p)方法研究了气相状态下PF6-阴离子与[Mmim]+、[Emim]+、[Pmim]+、[Bmim]+、[Vmim]+、[Hmim]+ 阳离子形成的离子液体[Mmim] PF6、[Emim] PF6、[Pmim] PF6、[Bmim] PF6、[Vmim]PF6、[Hmim] PF6的平衡几何结构,分析阴阳离子及其构成离子液体分子的电荷分布,阴阳离子的结合方式及其相互作用,并将这些信息与离子液体的熔点、密度、黏度等性质进行了关联,得到了较好的关联度.

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备注/Memo

备注/Memo:
收稿日期:2010-10-18 基金项目:国家自然科学基金资助项目(50564006);云南省自然科学基金重点项目(2005E0004Z);云南省教育厅青年科学研究基金重点项目                       (07Z40082); 昆明理工大学人才培养项目(200716);教育部国家大学生创新性实验计划项目(091067405) 作者简介:田国才(1976-     ),男,博士,教授.
更新日期/Last Update: 2011-01-20