Effect of adding ionic liquid 1-ethyl-3-methylimidazolium tetrafluoroborate on the coordination environment of Li+ ions in propylene carbonate, according to data from IR spectroscopy and quantum chemical modeling

被引：5
作者：
Shestakov, A. F. [1 ]
Yudina, A. V. [1 ]
Tulibaeva, G. Z. [1 ]
Shul'ga, Yu M. [1 ]
Ignatova, A. A. [1 ]
Yarmolenko, O. V. [1 ]
机构：
[1] Russian Acad Sci, Inst Problems Chem Phys, Chernogolovka 142432, Moscow Oblast, Russia
来源：
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A | 2017年 / 91卷 / 08期
关键词：
lithium ions; ionic liquid; propylene carbonate; density functional method; IR spectra; ETHYLENE-GLYCOL; LITHIUM-ION; INFRARED-SPECTROSCOPY; AGGREGATION BEHAVIOR; ALKYLENE CARBONATES; BINARY-MIXTURES; ELECTROLYTES; LIPF6; CONDUCTIVITY; TEMPERATURE;
D O I：
10.1134/S0036024417080301
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：
The effect ionic liquid (IL) 1-ethyl-3-methylimidazolium tetrafluoroborate has on the coordination environment of Li+ cations in carbonate solvents is studied by means of IR spectroscopy and quantum chemical modeling using the example of propylene carbonate (PC). LiBF4 is used as the lithium salt. This system is promising for use as an electrolyte in lithium power sources (LPSs), but the mechanism of ionic conductivity by Li+ ions in such systems has yet to be studied in full.
引用
收藏
页码：1444 / 1450
页数：7
相关论文
共 30 条
[1]   Spectroscopic measurements of ionic association in solutions of LiPF6 [J].
Burba, CM ;
Frech, R .
JOURNAL OF PHYSICAL CHEMISTRY B, 2005, 109 (31) :15161-15164
[2]  
Cammarata L, 2001, PHYS CHEM CHEM PHYS, V3, P5192, DOI 10.1039/b106900d
[3]   Conductivity and viscosity of PC-DEC and PC-EC solutions of LiBF4 [J].
Ding, MS .
JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 2004, 151 (01) :A40-A47
[4]   Structures of ionic liquids with different anions studied by infrared vibration Spectroscopy [J].
Jeon, Yoonnam ;
Sung, Jaeho ;
Seo, Choongwon ;
Lim, Hyunjin ;
Cheong, Hyeonsik ;
Kang, Minhyuck ;
Moon, Bongjin ;
Ouchi, Yukio ;
Kim, Doseok .
JOURNAL OF PHYSICAL CHEMISTRY B, 2008, 112 (15) :4735-4740
[5]   Structural change of 1-butyl-3-methylimidazolium tetrafluoroborate plus water mixtures studied by infrared vibrational Spectroscopy [J].
Jeon, Yoonnam ;
Sung, Jaeho ;
Kim, Doseok ;
Seo, Chungwon ;
Cheong, Hyeonsik ;
Ouchi, Yukio ;
Wawa, Ryosuke ;
Hamaguchi, Hiro-O .
JOURNAL OF PHYSICAL CHEMISTRY B, 2008, 112 (03) :923-928
[6]   Quantitative analysis of alpha-D-glucose in an ionic liquid by using infrared spectroscopy [J].
Kiefer, Johannes ;
Obert, Katharina ;
Boesmann, Andreas ;
Seeger, Thomas ;
Wasserscheid, Peter ;
Leipertz, Alfred .
CHEMPHYSCHEM, 2008, 9 (09) :1317-1322
[7]   Determination of Glucose and Cellobiose Dissolved in the Ionic Liquid 1-Ethyl-3-Methylimidazolium Acetate Using Fourier Transform Infrared Spectroscopy [J].
Kiefer, Johannes ;
Obert, Katharina ;
Fries, Juergen ;
Boesmann, Andreas ;
Wasserscheid, Peter ;
Leipertz, Alfred .
APPLIED SPECTROSCOPY, 2009, 63 (09) :1041-1049
[8]   Conductivity and solvation of Li+ ions of LiPF6 in propylene carbonate solutions [J].
Kondo, K ;
Sano, M ;
Hiwara, A ;
Omi, T ;
Fujita, M ;
Kuwae, A ;
Iida, M ;
Mogi, K ;
Yokoyama, H .
JOURNAL OF PHYSICAL CHEMISTRY B, 2000, 104 (20) :5040-5044
[9]   Thermodynamic and spectroscopic studies on binary mixtures ionic liquids in ethylene glycol [J].
Kumar, Bhupinder ;
Singh, Tejwant ;
Rao, K. Srinivasa ;
Pal, Amalendu ;
Kumar, Arvind .
JOURNAL OF CHEMICAL THERMODYNAMICS, 2012, 44 (01) :121-127
[10]   Fast evaluation of density functional exchange-correlation terms using the expansion of the electron density in auxiliary basis sets [J].
Laikov, DN .
CHEMICAL PHYSICS LETTERS, 1997, 281 (1-3) :151-156
123