- About this Journal ·
- Abstracting and Indexing ·
- Aims and Scope ·
- Article Processing Charges ·
- Articles in Press ·
- Author Guidelines ·
- Bibliographic Information ·
- Citations to this Journal ·
- Contact Information ·
- Editorial Board ·
- Editorial Workflow ·
- Free eTOC Alerts ·
- Publication Ethics ·
- Reviewers Acknowledgment ·
- Submit a Manuscript ·
- Subscription Information ·
- Table of Contents
Advances in Physical Chemistry
Volume 2012 (2012), Article ID 829523, 7 pages
Conformational Analysis of Quaternary Ammonium-Type Ionic Liquid Cation, N,N-Diethyl-N-methyl-N-(2-methoxyethyl) Ammonium Cation
1Department of Applied Chemistry, National Defense Academy, 1-10-20, Hashirimizu, Yokosuka, Kanagawa 239-8686, Japan
2Department of Materials Science and Engineering, National Defense Academy, 1-10-20, Hashirimizu, Yokosuka, Kanagawa 239-8686, Japan
Received 17 April 2012; Accepted 13 June 2012
Academic Editor: Ranko Richert
Copyright © 2012 Takahiro Takekiyo et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
- H. O. Hamaguchi and R. Ozawa, “Structure of ionic liquids and ionic liquid compounds: are ionic liquids genuine liquids in the conventional sense?” Advances in Chemical Physics, vol. 131, pp. 85–104, 2005.
- T. Endo, T. Kato, K. I. Tozaki, and K. Nishikawa, “Phase behaviors of room temperature ionic liquid linked with cation conformational changes: 1-Butyl-3-methylimidazolium Hexafluorophosphate,” Journal of Physical Chemistry B, vol. 114, no. 1, pp. 407–411, 2010.
- R. W. Berg, “Raman spectroscopy and ab-initio model calculations on ionic liquids,” Monatshefte fur Chemie, vol. 138, no. 11, pp. 1045–1075, 2007.
- Y. Imai, H. Abe, T. Goto, Y. Yoshimura, Y. Michishita, and H. Matsumoto, “Structure and thermal property of N,N-diethyl-N-methyl-N-2-methoxyethyl ammonium tetrafluoroborate-H2O mixtures,” Chemical Physics, vol. 352, no. 1–3, pp. 224–230, 2008.
- Y. Imai, H. Abe, T. Goto, Y. Yoshimura, S. Kushiyama, and H. Matsumoto, “Orientational ordering of crystal domains in ionic liquid based mixtures,” Journal of Physical Chemistry B, vol. 112, no. 32, pp. 9841–9846, 2008.
- Y. Imai, H. Abe, and Y. Yoshimura, “X-ray diffraction study of ionic liquid based mixtures,” Journal of Physical Chemistry B, vol. 113, no. 7, pp. 2013–2018, 2009.
- Y. Yoshimura, T. Goto, H. Abe, and Y. Imai, “Existence of nearly-free hydrogen bonds in an ionic liquid, N,N -diethyl-N-methyl-N-(2-methoxyethyl) ammonium tetrafluoroborate-water at 77 K,” Journal of Physical Chemistry B, vol. 113, no. 23, pp. 8091–8095, 2009.
- H. Abe, Y. Yoshimura, Y. Imai, T. Goto, and H. Matsumoto, “Phase behavior of room temperature ionic liquid—H2O mixtures: N, N-diethyl-N-methyl-N-2-methoxyethyl ammonium tetrafluoroborate,” Journal of Molecular Liquids, vol. 150, no. 1–3, pp. 16–21, 2009.
- Y. Imai, H. Abe, T. Miyashita, T. Goto, H. Matsumoto, and Y. Yoshimura, “Two glass transitions in N, N-diethyl-N-methyl-N-(2-methoxyethyl) ammonium tetrafluoroborate-H2O mixed solutions,” Chemical Physics Letters, vol. 486, no. 1-3, pp. 37–39, 2010.
- H. Abe, Y. Imai, T. Takekiyo, and Y. Yoshimura, “Deuterated water effect in a room temperature ionic liquid: N,N-diethyl-N-methyl-2-methoxyethyl ammonium tetrafluoroborate,” Journal of Physical Chemistry B, vol. 114, no. 8, pp. 2834–2839, 2010.
- H. Abe, Y. Imai, T. Goto et al., “Water network in room-temperature ionic liquid: N,N-diethyl-N-methyl-N-2-methoxyethyl ammonium tetrafluoroborate,” Metallurgical and Materials Transactions A, vol. 41, no. 5, pp. 1137–1143, 2010.
- Y. Imai, H. Abe, H. Matsumoto, O. Shimada, T. Hanasaki, and Y. Yoshimura, “Glass transition behaviour of the quaternary ammonium type ionic liquid, mixtures,” Journal of Chemical Thermodynamics, vol. 43, no. 3, pp. 319–322, 2011.
- R. Ozawa, S. Hayashi, S. Saha, A. Kobayashi, and H. O. Hamaguchi, “Rotational isomerism and structure of the 1-butyl-3-methylimidazolium cation in the ionic liquid state,” Chemistry Letters, vol. 32, no. 10, pp. 948–949, 2003.
- K. Fujii, T. Fujimori, T. Takamuku, R. Kanzaki, Y. Umebayashi, and S. I. Ishiguro, “Conformational equilibrium of bis(trifluoromethanesulfonyl) imide anion of a room-temperature ionic liquid: raman spectroscopic study and DFT calculations,” Journal of Physical Chemistry B, vol. 110, no. 16, pp. 8179–8183, 2006.
- Y. Umebayashi, T. Fujimori, T. Sukizaki et al., “Evidence of conformational equilibrium of 1-ethyl-3-methylimidazolium in its ionic liquid salts: raman spectroscopic study and quantum chemical calculations,” Journal of Physical Chemistry A, vol. 109, no. 40, pp. 8976–8982, 2005.
- J. C. Lassègues, J. Grondin, R. Holomb, and P. Johansson, “Raman and ab initio study of the conformational isomerism in the 1-ethyl-3-methyl-imidazolium bis(trifluoromethanesulfonyl)imide ionic liquid,” Journal of Raman Spectroscopy, vol. 38, no. 5, pp. 551–558, 2007.
- Y. Umebayashi, T. Mitsugi, S. Fukuda et al., “Lithium ion solvation in room-temperature ionic liquids involving bis(trifluoromethanesulfonyl) imide anion studied by Raman spectroscopy and DFT calculations,” Journal of Physical Chemistry B, vol. 111, no. 45, pp. 13028–13032, 2007.
- R. Holomb, A. Martinelli, I. Albinsson, J. C. Lassègues, P. Johansson, and P. Jacobsson, “Ionic liquid structure: the conformational isomerism in 1-butyl-3-methyl-imidazolium tetrafluoroborate ([bmim][BF4]),” Journal of Raman Spectroscopy, vol. 39, no. 7, pp. 793–805, 2008.
- M. J. Frish, G. W. Trucks, H. B. Schlegel, et al., GAUSSIAN 03, Gaussian, Pittsburgh, Pa, USA, 2003.
- A. D. Becke, “Density-functional exchange-energy approximation with correct asymptotic behavior,” Physical Review A, vol. 38, no. 6, pp. 3098–3100, 1988.
- C. Lee, W. Yang, and R. G. Parr, “Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density,” Physical Review B, vol. 37, no. 2, pp. 785–789, 1988.
- S. F. Boys and F. Bernardi, “The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors,” Molecular Physics, vol. 19, no. 4, pp. 553–566, 1970.
- S. Simon, M. Duran, and J. J. Dannenberg, “How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers?” Journal of Chemical Physics, vol. 105, no. 24, pp. 11024–11031, 1996.
- C. M. Breneman and K. B. Wiberg, “Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis,” Journal of Computational Chemistry, vol. 11, no. 3, pp. 361–373, 1990.
- K. B. Wiberg, T. A. Keith, M. J. Frisch, and M. Murcko, “Solvent effects on 1,2-dihaloethane gauche/trans ratios,” Journal of Physical Chemistry, vol. 99, no. 22, pp. 9072–9079, 1995.
- H. Yoshida and H. Matsuura, “Density functional study of the conformations and vibrations of 1,2-dimethoxyethane,” Journal of Physical Chemistry A, vol. 102, no. 16, pp. 2691–2699, 1998.
- N. Goutev, K. Ohno, and H. Matsuura, “Raman spectroscopic study on the conformation of 1,2-dimethoxyethane in the liquid phase and in aqueous solutions,” Journal of Physical Chemistry A, vol. 104, no. 40, pp. 9226–9232, 2000.
- V. B. Luzhkov, F. Österberg, P. Acharya, J. Chattopadhyaya, and J. Åqvist, “Computational and NMR study of quaternary ammonium ion conformations in solution,” Physical Chemistry Chemical Physics, vol. 4, no. 19, pp. 4640–4647, 2002.
- T. Takekiyo and Y. Yoshimura, “Drastic change in the conformational equilibria of tetraethylammonium bromide in the glassy aqueous solution,” Chemical Physics Letters, vol. 420, no. 1–3, pp. 8–11, 2006.
- T. Yasuda, M. Okuyama, N. Tanimoto, S. Sekiguchi, and S. I. Ikawa, “Intramolecular hydrogen bonding and molecular conformation. Part 4.-Corrections of thermodynamic properties obtained by IR measurements at different temperatures and pressures,” Journal of the Chemical Society, Faraday Transactions, vol. 91, no. 19, pp. 3379–3383, 1995.
- T. Welton, “Room-temperature ionic liquids. Solvents for synthesis and catalysis,” Chemical Reviews, vol. 99, no. 8, pp. 2071–2083, 1999.
- R. Katoh, M. Hara, and S. Tsuzuki, “Ion pair formation in [bmim]I ionic liquids,” Journal of Physical Chemistry B, vol. 112, no. 48, pp. 15426–15430, 2008.
- S. G. Raju and S. Balasubramanian, “Aqueous solution of [bmim][PF6]: ion and solvent effects on structure and dynamics,” Journal of Physical Chemistry B, vol. 113, no. 14, pp. 4799–4806, 2009.