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The structure and hydrogen-bond properties of N-alkyl-N-methyl-pyrrolidinium bis(trifluoromethylsulfonyl)imide and DMSO mixtures
Zheng, Yan-Zhen1; Chen, Hong2; Zhou, Yu2; Geng, Deng3; He, Hong-Yan4; Wu, Li-Ming1,5
2020-12-28
Source PublicationPHYSICAL CHEMISTRY CHEMICAL PHYSICS
ISSN1463-9076
Volume22Issue:48Pages:28021-28031
AbstractMixing ionic liquids (ILs) with molecular solvents can extend the practical applications of ILs and overcome the drawbacks of neat ILs. Knowledge on the structure and hydrogen-bond interaction properties of IL-molecular solvent mixtures is essential for chemical applications. In this work, the structure and hydrogen-bond features of N-alkyl-N-methyl-pyrrolidinium bis(trifluoromethylsulfonyl)imide ([CnMPyr][Tf2N], n = 3, 4, 6 and 8) and DMSO mixtures were studied using Fourier transform infrared spectroscopy (FTIR) and density functional theory (DFT) calculations. Excess infrared absorption spectroscopy and two-dimensional correlation spectroscopy (2D-COS) were employed to extract structural information on the mixtures from the C-D systematic stretching vibrational (nu(s)(C-D)) region of the methyl groups in DMSO-d(6). It was found that the mixing process of [CnMPyr][Tf2N] and DMSO is non-ideal and interaction complexes form between [CnMPyr][Tf2N] and DMSO-d(6). They are ion cluster-DMSO-d(6) complexes and ion pair-DMSO-d(6) complexes. In the mixing processes, the species present in pure DMSO gradually decrease from DMSO dimer to DMSO monomer with an increase in ILs. Besides, the ion cluster-DMSO complexes gradually increase, while the ion pair-DMSO complexes decrease due to the strong electrostatic interaction between the cation and anion. In the ion cluster-DMSO complexes and ion pair-DMSO complexes, the ring hydrogen atoms of the methylene group directly attached to the nitrogen atom are the preferred interaction sites of the [CnMPyr](+) cations. All the hydrogen bonds in the identified complexes are closed-shell, electrostatically dominant and weak.
DOI10.1039/d0cp03640d
Language英语
WOS KeywordSELECTIVE MOLECULAR-INTERACTIONS ; TEMPERATURE IONIC LIQUIDS ; DIMETHYL-SULFOXIDE ; CELLULOSE DISSOLUTION ; BINARY-SYSTEMS ; WATER ; EXTRACTION ; SOLVATION ; TETRAFLUOROBORATE ; TRIFLUOROACETATE
Funding ProjectNational Natural Science Foundation of China[21703035] ; Hong Kong Scholar Program[XJ2018022] ; National Science Fund for Excellent Young Scholars[21922813] ; Fujian Agriculture and Forestry University Foundation for excellent youth teachers[xjq201715]
WOS Research AreaChemistry ; Physics
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
Funding OrganizationNational Natural Science Foundation of China ; Hong Kong Scholar Program ; National Science Fund for Excellent Young Scholars ; Fujian Agriculture and Forestry University Foundation for excellent youth teachers
WOS IDWOS:000603167900009
PublisherROYAL SOC CHEMISTRY
Citation statistics
Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/43069
Collection中国科学院过程工程研究所
Corresponding AuthorHe, Hong-Yan
Affiliation1.Fujian Agr & Forestry Univ, Coll Anim Sci, Coll Bee Sci, Fuzhou 350002, Peoples R China
2.Qingdao Univ, Sch Chem & Chem Engn, Qingdao 266071, Peoples R China
3.Tsinghua Univ, Dept Chem, Key Lab Bioorgan Phosphorous Chem & Chem Biol, Minist Educ, Beijing 100084, Peoples R China
4.Chinese Acad Sci, Beijing Key Lab Ion Liquids Clean Proc, Inst Proc Engn, CAS Key Lab Green Proc & Engn,State Key Lab Multi, Beijing 100190, Peoples R China
5.Chinese Acad Agr Sci, Inst Apicultural Res, Beijing 100093, Peoples R China
Recommended Citation
GB/T 7714
Zheng, Yan-Zhen,Chen, Hong,Zhou, Yu,et al. The structure and hydrogen-bond properties of N-alkyl-N-methyl-pyrrolidinium bis(trifluoromethylsulfonyl)imide and DMSO mixtures[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2020,22(48):28021-28031.
APA Zheng, Yan-Zhen,Chen, Hong,Zhou, Yu,Geng, Deng,He, Hong-Yan,&Wu, Li-Ming.(2020).The structure and hydrogen-bond properties of N-alkyl-N-methyl-pyrrolidinium bis(trifluoromethylsulfonyl)imide and DMSO mixtures.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,22(48),28021-28031.
MLA Zheng, Yan-Zhen,et al."The structure and hydrogen-bond properties of N-alkyl-N-methyl-pyrrolidinium bis(trifluoromethylsulfonyl)imide and DMSO mixtures".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22.48(2020):28021-28031.
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