Cation Dynamics in the Pyridinium Based Ionic Liquid 1-N-Butylpyridinium Bis((trifluoromethyl)sulfonyl) As Seen by Quasielastic Neutron Scattering

被引:23
作者
Embs, Jan P. [1 ]
Burankova, Tatsiana [1 ,2 ]
Reichert, Elena [2 ]
Hempelmann, Rolf [2 ]
机构
[1] Paul Scherrer Inst, Neutron Scattering Lab, Villigen, Switzerland
[2] Univ Saarland, Dept Phys Chem, D-6600 Saarbrucken, Germany
关键词
KERR-EFFECT SPECTRA; X-RAY-SCATTERING; NANOSTRUCTURAL ORGANIZATION; TEMPERATURE; HETEROGENEITY; SIMULATION; ANION; NITRATE;
D O I
10.1021/jp3070344
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
Quasielastic neutron scattering (QENS) has been used to study the cation dynamics in the pyridinium based ionic liquid (IL) 1-N-butylpyridinium bis((trifluoromethyl)sulfonyl)imide (BuPy-Tf2N). This IL allows for a detailed investigation of the dynamics of the cations only, due to the huge incoherent scattering cross section of the cation (sigma(cation)(inc) >> sigma(anion)(inc)) The measured spectra can be decomposed into two Lorentzian lines, indicative of two distinct dynamic processes. The slower of these two processes is diffusive in nature, whereas the faster one can be attributed to localized motions. The temperature dependence of the diffusion coefficient of the slow process follows an Arrhenius law, with an activation energy of E-A = 14.8 +/- 0.3 kJ/mol. Furthermore, we present here results from experiments with polarized neutrons. These experiments clearly show that the slower of the two observed processes is coherent, while the faster one is incoherent in nature.
引用
收藏
页码:13265 / 13271
页数:7
相关论文
共 51 条
[1]   What is the Origin of the Prepeak in the X-ray Scattering of Imidazolium-Based Room-Temperature Ionic Liquids? [J].
Annapureddy, Harsha V. R. ;
Kashyap, Hemant K. ;
De Biase, Pablo M. ;
Margulis, Claudio J. .
JOURNAL OF PHYSICAL CHEMISTRY B, 2010, 114 (50) :16838-16846
[2]   DAVE: A Comprehensive Software Suite for the Reduction, Visualization, and Analysis of Low Energy Neutron Spectroscopic Data [J].
Azuah, Richard Tumanjong ;
Kneller, Larry R. ;
Qiu, Yiming ;
Tregenna-Piggott, Philip L. W. ;
Brown, Craig M. ;
Copley, John R. D. ;
Dimeo, Robert M. .
JOURNAL OF RESEARCH OF THE NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY, 2009, 114 (06) :341-358
[3]   Influence of Polarization on Structural, Thermodynamic, and Dynamic Properties of Ionic Liquids Obtained from Molecular Dynamics Simulations [J].
Bedrov, Dmitry ;
Borodin, Oleg ;
Li, Zhe ;
Smith, Grant D. .
JOURNAL OF PHYSICAL CHEMISTRY B, 2010, 114 (15) :4984-4997
[4]   Insights into the structure and dynamics of a room-temperature ionic liquid:: Ab initio molecular dynamics simulation studies of 1-n-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF6]) and the [bmim][PF6]-CO2 mixture [J].
Bhargava, B. L. ;
Balasubramanian, S. .
JOURNAL OF PHYSICAL CHEMISTRY B, 2007, 111 (17) :4477-4487
[5]   Structure and dynamics of N-methyl-N-propylpyrrolidinium bis(trifluoromethanesulfonyl)imide ionic liquid from molecular dynamics simulations [J].
Borodin, Oleg ;
Smith, Grant D. .
JOURNAL OF PHYSICAL CHEMISTRY B, 2006, 110 (23) :11481-11490
[6]  
Castner EW, 2011, ANNU REV PHYS CHEM, V62, P85, DOI [10.1146/annurev-physchem-032210-103421, 10.1146/annurev.physchem.032210-103421]
[7]   Molecular dynamics simulation of polymer electrolytes based on poly(ethylene oxide) and ionic liquids. I. Structural properties [J].
Costa, Luciano T. ;
Ribeiro, Mauro C. C. .
JOURNAL OF CHEMICAL PHYSICS, 2006, 124 (18)
[8]   LIQUID DYNAMICS AND INELASTIC SCATTERING OF NEUTRONS [J].
DEGENNES, PG .
PHYSICA, 1959, 25 (09) :825-839
[9]   On the structure and dynamics of ionic liquids [J].
Del Pópolo, MG ;
Voth, GA .
JOURNAL OF PHYSICAL CHEMISTRY B, 2004, 108 (05) :1744-1752
[10]  
Fischer P., 2000, PHYSICA B, P276