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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
Source PublicationCHEMICAL COMMUNICATIONS
ISSN1359-7345
Volume52Issue:41Pages:6744-6764
AbstractIonic 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.
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
DOI10.1039/c5cc10120d
Indexed BySCI
Language英语
WOS KeywordMOLECULAR-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 Research AreaChemistry
WOS SubjectChemistry, Multidisciplinary
Funding OrganizationInternational S&T Cooperation Program of China(2014DFA61670) ; National Natural Science Foundation of China(91534116 ; 91434203 ; 21276255)
WOS IDWOS:000376089000001
Citation statistics
Cited Times:82[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/21085
Collection多相复杂系统国家重点实验室
Affiliation1.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
Recommended Citation
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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