Nitrile group as IR probe to detect the structure and hydrogen-bond properties of piperidinium/pyrrolidinium based ionic liquids and acetonitrile mixtures
文献类型：期刊论文
| 作者 | Zheng, Yan-Zhen1; Zhou, Yu3; He, Hong-Yan2; Guo, Rui1; Chen, Da-Fu1 |
| 刊名 | JOURNAL OF MOLECULAR LIQUIDS
 |
| 出版日期 | 2021-01-15 |
| 卷号 | 322页码:9 |
| ISSN号 | 0167-7322 |
| 关键词 | Ionic liquids Acetonitrile Hydrogen-bond Density functional theory Infrared spectroscopy Excess spectra |
| DOI | 10.1016/j.molliq.2020.114548 |
| 英文摘要 | The use of molecular solvents has been proposed as a simple solution to reduce the high viscosities of neat ionic liquids (ILs) and extend the practical applications of ILs. A proper understanding of the structure and intermolecular interaction is of vital importance for the design, optimization and synthesis of ILs systems with tailored properties for specific applications. In this work, the structure and hydrogen-bond features of the representative pyrrolidinium/piperidinium based ILs and acetonitrile mixtures were studied by a combination of Fouriertransform infrared spectroscopy (FTIR) and density functional theory (DFT) calculations. The nu(C N) region is sensitive to the microenvironment and is used as IR probe to detect the structure and hydrogen-bond properties of the two IL-acetonitrile binary systems in the whole concentration range. Positive peaks are observed in the excess IR spectra of nu(C N) region which indicates the non-ideality of the mixing process and the formation of hydrogen-bonded complexes in the mixtures. With the help of deconvolution and DFT calculations, the species transformation in the mixing process can be identified from the excess spectra: When x(CD3CN) is less than 0.90, acetonitrile mainly interacts with the ion pairs and ion clusters of the ILs. Ion clusters are all broken out into ion pairs and the interaction complex is mainly ion pair-CD3CN when x(CD3CN) > 0.90. In the whole concentration range, the CD3CN cannot break apart the strong coulombic interactions between the cation and anion, and the individual cation and anion do not exist in the mixtures. All of the hydrogen-bonds in the ion pair/ion clusteracetonitrile complexes are weak strength, closed shells and electrostatically dominant interactions. (C) 2020 Published by Elsevier B.V. |
| WOS关键词 | CELLULOSE DISSOLUTION ; SOLVENT MIXTURES ; BINARY-MIXTURES ; WATER ; TEMPERATURE ; SPECTROSCOPY ; SOLVATION ; ASSOCIATION ; SOLUBILITY ; DYNAMICS |
| 资助项目 | National Natural Science Foundation of China[21703035] ; National Natural Science Foundation of China[21703115] ; Hong Kong Scholar Program[XJ2018022] ; National Science Fund for Excellent Young Scholars[21922813] ; Earmarked Fund for China Agriculture Research System[CARS-44-KXJ7] ; Fujian Agriculture and Forestry University Foundation for excellent youth teachers[xjq201715] |
| WOS研究方向 | Chemistry ; Physics |
| 语种 | 英语 |
| 出版者 | ELSEVIER |
| WOS记录号 | WOS:000610834000007 |
| 资助机构 | National Natural Science Foundation of China ; Hong Kong Scholar Program ; National Science Fund for Excellent Young Scholars ; Earmarked Fund for China Agriculture Research System ; Fujian Agriculture and Forestry University Foundation for excellent youth teachers |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/43490]  |
| 专题 | 中国科学院过程工程研究所 |
| 通讯作者 | He, Hong-Yan |
| 作者单位 | 1.Fujian Agr & Forestry Univ, Coll Bee Sci, Fuzhou 350002, Peoples R China 2.Chinese Acad Sci, Inst Proc Engn, Beijing Key Lab Ion Liquids Clean Proc, State Key Lab Multiphase Complex Syst,CAS Key Lab, Beijing 100190, Peoples R China 3.Qingdao Univ, Sch Chem & Chem Engn, Qingdao 266071, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zheng, Yan-Zhen,Zhou, Yu,He, Hong-Yan,et al. Nitrile group as IR probe to detect the structure and hydrogen-bond properties of piperidinium/pyrrolidinium based ionic liquids and acetonitrile mixtures[J]. JOURNAL OF MOLECULAR LIQUIDS,2021,322:9. |
| APA | Zheng, Yan-Zhen,Zhou, Yu,He, Hong-Yan,Guo, Rui,&Chen, Da-Fu.(2021).Nitrile group as IR probe to detect the structure and hydrogen-bond properties of piperidinium/pyrrolidinium based ionic liquids and acetonitrile mixtures.JOURNAL OF MOLECULAR LIQUIDS,322,9. |
| MLA | Zheng, Yan-Zhen,et al."Nitrile group as IR probe to detect the structure and hydrogen-bond properties of piperidinium/pyrrolidinium based ionic liquids and acetonitrile mixtures".JOURNAL OF MOLECULAR LIQUIDS 322(2021):9. |
入库方式： OAI收割
来源：过程工程研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。