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Understanding the hydrogen bonds in ionic liquids and their roles in properties and reactions
Dong, Kun1; Zhang, Suojiang1; Wang, Jianji2
2016
发表期刊CHEMICAL COMMUNICATIONS
ISSN1359-7345
卷号52期号:41页码:6744-6764
摘要Ionic liquids (ILs) have many potential applications in the chemical industry. In order to understand ILs, their molecular details have been extensively investigated. Intuitively, electrostatic forces are solely important in ILs. However, experiments and calculations have provided strong evidence for the existence of H-bonds in ILs and their roles in the properties and applications of ILs. As a structure-directing force, H-bonds are responsible for ionic pairing, stacking and self-assembling. Their geometric structure, interaction energy and electronic configuration in the ion-pairs of imidazolium-based ILs and protic ionic liquids (PILs) show a great number of differences compared to conventional H-bonds. In particular, their cooperation with electrostatic, dispersion and pi interactions embodies the physical nature of H-bonds in ILs, which anomalously influences their properties, leading to a decrease in their melting points and viscosities and thus fluidizing them. Using ILs as catalysts and solvents, many reactions can be activated by the presence of H-bonds, which reduce the reaction barriers and stabilize the transition states. In the dissolution of lignocellulosic biomass by ILs, H-bonds exhibit a most important role in disrupting the H-bonding network of cellulose and controlling microscopic ordering into domains. In this article, a critical review is presented regarding the structural features of H-bonds in ILs and PILs, the correlation between H-bonds and the properties of ILs, and the roles of H-bonds in typical reactions.
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
DOI10.1039/c5cc10120d
收录类别SCI
语种英语
关键词[WOS]MOLECULAR-DYNAMICS SIMULATIONS ; FAR-INFRARED SPECTROSCOPY ; CATION-ANION INTERACTION ; X-RAY-DIFFRACTION ; DENSITY-FUNCTIONAL THEORY ; ROOM-TEMPERATURE ; ETHYLAMMONIUM NITRATE ; BIOMASS RECALCITRANCE ; ELECTRONIC-STRUCTURE ; INTERACTION ENERGIES
WOS研究方向Chemistry
WOS类目Chemistry, Multidisciplinary
项目资助者International S&T Cooperation Program of China(2014DFA61670) ; National Natural Science Foundation of China(91534116 ; 91434203 ; 21276255)
WOS记录号WOS:000376089000001
引用统计
被引频次:54[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.ipe.ac.cn/handle/122111/21085
专题多相复杂系统国家重点实验室
作者单位1.Chinese Acad Sci, Inst Proc Engn, State Key Lab Multiphase Complex Syst, Beijing 100190, Peoples R China
2.Henan Normal Univ, Sch Chem & Chem Engn, Collaborat Innovat Ctr Henan Prov Green Mfg Fine, Minist Educ,Key Lab Green Chem Media & React, Xinxiang 453007, Henan, Peoples R China
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GB/T 7714
Dong, Kun,Zhang, Suojiang,Wang, Jianji. Understanding the hydrogen bonds in ionic liquids and their roles in properties and reactions[J]. CHEMICAL COMMUNICATIONS,2016,52(41):6744-6764.
APA Dong, Kun,Zhang, Suojiang,&Wang, Jianji.(2016).Understanding the hydrogen bonds in ionic liquids and their roles in properties and reactions.CHEMICAL COMMUNICATIONS,52(41),6744-6764.
MLA Dong, Kun,et al."Understanding the hydrogen bonds in ionic liquids and their roles in properties and reactions".CHEMICAL COMMUNICATIONS 52.41(2016):6744-6764.
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