Interactions of polyvinylpyrrolidone with imidazolium based ionic liquids: Spectroscopic and Density Functional Theory studies

被引：15
作者：
Bahadur, I. [1 ,2 ]
Momin, Mehbub I. K. [3 ]
Koorbanally, N. A. [3 ]
Sattari, M. [5 ]
Ebenso, E. E. [1 ,2 ]
Katata-Seru, L. M. [1 ,2 ]
Singh, S. [4 ]
Ramjugernath, D. [5 ]
机构：
[1] North West Univ, Dept Chem, Mafikeng Campus,Private Bag X2046, ZA-2735 Mmabatho, South Africa
[2] North West Univ, Fac Agr Sci & Technol, Mat Sci Innovat & Modelling MaSIM Res Focus Area, Mafikeng Campus,Private Bag X2046, ZA-2735 Mmabatho, South Africa
[3] Univ KwaZulu Natal, Sch Chem, Private Bag X54001, ZA-4000 Durban, South Africa
[4] Durban Univ Technol, Dept Chem, POB 1334, ZA-4000 Durban, South Africa
[5] Univ KwaZulu Natal, Sch Engn, Thermodynam Res Unit, Howard Coll Campus,King George V Ave, ZA-4041 Durban, South Africa
来源：
JOURNAL OF MOLECULAR LIQUIDS | 2016年 / 213卷
基金：
新加坡国家研究基金会;
关键词：
Ionic liquid; Polymer; UV; Raman; FT-IR spectroscopy; Density Functional Theory (DFT); 1-BUTYL-3-METHYLIMIDAZOLIUM METHYL SULFATE; BLOCK-COPOLYMER MICELLES; APPARENT MOLAR VOLUME; POLYMER ELECTROLYTES; ISENTROPIC COMPRESSIBILITY; DIBLOCK COPOLYMERS; BINARY-MIXTURES; PLUS METHANOL; ETHYL-ACETATE; HYDROGEN-BOND;
D O I：
10.1016/j.molliq.2015.10.017
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
A polyvinylpyrrolidone (PVP) polymer has been shown to interact with the ionic liquids (ILs), 1-butyl-3-methylimidazolium bis(trifluromethylsulfonyl)imide [BMIM][Tf2N], 1-butyl-3-methylimidazolium methylsulphate [BMIM][MeSO4], and 1-ethyl-3-methylimidazolium-n-octylsulphate [EMIM][OS]. Ultraviolet-visible spectroscopy (UV-Vis), Fourier transform infrared spectroscopy (FT-IR) and confocal Raman spectroscopy have revealed that these Is have the ability to interact with the polymer. The Density Functional Theory (DFT) calculation has been performed to optimize the ILs-PVP systems. The results show that there are several H-bonds between ILs and PVP. This study delivers the mutual effect of the polymer and ILs that may create many theoretical and experimental opportunities. (C) 2015 Published by Elsevier B.V.
引用
收藏
页码：13 / 16
页数：4
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