ITP OpenIR  > 理论物理所科研产出  > SCI论文
Li, S1; Saielli, G2,3; Wang, YT
Aggregation behavior of dihexadecylviologen bistriflimide ionic liquid crystal in different solvents: influence of polarity and concentration
Source PublicationPHYSICAL CHEMISTRY CHEMICAL PHYSICS
Language英语
KeywordELECTROCHROMIC DEVICES DIELECTRIC-CONSTANT MOLECULAR-SOLVENTS ORGANIC-MOLECULES AQUEOUS-SOLUTIONS DFT CALCULATIONS FORCE-FIELD VIOLOGEN NMR SIMULATIONS
AbstractSolutions of 1,1-dihexadecyl-4,4-bipyridinium di[bis(trifluoromethanesulfonyl)imide] salt, also known as dihexadecylviologen bistriflimide, in deuterated acetonitrile (ACN), dichloromethane (DCM) and chloroform (CDCl3), respectively, were investigated by the combination of H-1 and DOSY NMR spectroscopy, DFT calculations and MD simulation to understand the influence of solvent polarity and solute concentration (10(-5)-10(-1) M) on its aggregation behavior. We found that the polar solvent acetonitrile (ACN) does not favor ion aggregation and cluster formation. In the whole range of concentrations investigated, the system appears to be dominated by neutral ion pairs composed of one cation and two anions, possibly in fast equilibrium (on the NMR time scale) with small or slightly larger aggregates. The diffusion coefficient of the cationic species is only weakly affected by concentration. In contrast, the low-polar solvents of chloroform (CDCl3) and dichloromethane (DCM) strongly favor cluster formation above a certain concentration and the viologen diffusion coefficient in CDCl3 is much smaller and more strongly dependent on concentration than that in ACN. The information obtained from the MD simulations suggests that the aggregates have a structure similar to the isotropic liquid phase of the viologen-based ionic liquids and ionic liquid crystals. The lifetimes of such large clusters appear to be relatively long, beyond the time scale of tens of nanoseconds. Moreover, the results from the aromatic proton NMR resonances provide some insights on the dielectric constants inside the viologen aggregates.
2018
ISSN1463-9076
Volume20Issue:35Pages:22730-22738
Subject AreaChemistry ; Physics
MOST Discipline CatalogueChemistry, Physical ; Physics, Atomic, Molecular & Chemical
DOI10.1039/c8cp03055c
Indexed BySCIE
Citation statistics
Document Type期刊论文
Identifierhttp://ir.itp.ac.cn/handle/311006/22810
Collection理论物理所科研产出_SCI论文
Affiliation1.Chinese Acad Sci, Inst Theoret Phys, CAS Key Lab Theoret Phys, 55 East Zhongguancun Rd,POB 2735, Beijing 100190, Peoples R China
2.Univ Chinese Acad Sci, Sch Phys Sci, 19A Yuquan Rd, Beijing 100049, Peoples R China
3.Univ Padua, CNR, Ist Tecnol Membrane, Sez Padova, Via Marzolo 1, I-35131 Padua, Italy
4.Univ Padua, Dept Chem Sci, Via Marzolo 1, I-35131 Padua, Italy
Recommended Citation
GB/T 7714
Li, S,Saielli, G,Wang, YT. Aggregation behavior of dihexadecylviologen bistriflimide ionic liquid crystal in different solvents: influence of polarity and concentration[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2018,20(35):22730-22738.
APA Li, S,Saielli, G,&Wang, YT.(2018).Aggregation behavior of dihexadecylviologen bistriflimide ionic liquid crystal in different solvents: influence of polarity and concentration.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,20(35),22730-22738.
MLA Li, S,et al."Aggregation behavior of dihexadecylviologen bistriflimide ionic liquid crystal in different solvents: influence of polarity and concentration".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20.35(2018):22730-22738.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Li, S]'s Articles
[Saielli, G]'s Articles
[Wang, YT]'s Articles
Baidu academic
Similar articles in Baidu academic
[Li, S]'s Articles
[Saielli, G]'s Articles
[Wang, YT]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Li, S]'s Articles
[Saielli, G]'s Articles
[Wang, YT]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.