Hydrogen bond in imidazolium based protic and aprotic ionic liquids
作者： Hikari Watanabe , Hiroyuki Doi , Soshi Saito , Masaru Matsugami , Kenta Fujii
DOI: 10.1016/J.MOLLIQ.2015.08.005
关键词:
摘要: Abstract Liquid structure of bis-(trifluoromethanesulfonyl)amide TFSA− based protic and aprotic ionic liquids composed imidazolium [h2Im+], N-methylimidazolium [C1hIm+] N,N’-dimethylimidazolium [C1mIm+] were investigated by high-energy total scattering (HETS) experiments. The nearest neighboring cation–anon orientation variations the N-methyl groups substitution to proton suggested on peaks at around 6 9 A in differential radial distribution functions as form r2{GX-ray(r) - 1} for these liquids. It was supposed that NH · · · O hydrogen bond causes cation–anion variations. To obtain further insight into PIL, MD simulations performed agreed well with According spatial (SDF) three liquids, O atom prefers NH has most positive partial atomic charge cation, while F locates right above below ring plane. In addition, short lengths linear angles, C2H · ·O interaction is long bent. PIL discussed structural aspect accompanied a thermodynamic viewpoint.
sci-hub.se 参考文章(80)
Shuhei Fukuda, Munetaka Takeuchi, Kenta Fujii, Ryo Kanzaki, Toshiyuki Takamuku, Kazumi Chiba, Hideo Yamamoto, Yasuhiro Umebayashi, Shin-ichi Ishiguro, Liquid structure of N-butyl-N-methylpyrrolidinium bis-(trifluoromethanesulfonyl) amide ionic liquid studied by large angle X-ray scattering and molecular dynamics simulations Journal of Molecular Liquids. ,vol. 143, pp. 2- 7 ,(2008) , 10.1016/J.MOLLIQ.2008.02.012
C. Austen Angell, Nolene Byrne, Jean-Philippe Belieres, Parallel Developments in Aprotic and Protic Ionic Liquids: Physical Chemistry and Applications Accounts of Chemical Research. ,vol. 40, pp. 1228- 1236 ,(2007) , 10.1021/AR7001842
Hiroyuki Tokuda, Kikuko Hayamizu, Kunikazu Ishii, Md. Abu Bin Hasan Susan, Masayoshi Watanabe, Physicochemical properties and structures of room temperature ionic liquids. 2. Variation of alkyl chain length in imidazolium cation. Journal of Physical Chemistry B. ,vol. 109, pp. 6103- 6110 ,(2005) , 10.1021/JP044626D
Robert Hayes, Silvia Imberti, Gregory G. Warr, Rob Atkin, Pronounced sponge-like nanostructure in propylammonium nitrate Physical Chemistry Chemical Physics. ,vol. 13, pp. 13544- 13551 ,(2011) , 10.1039/C1CP21080G
Tamar L. Greaves, Calum J. Drummond, Solvent nanostructure, the solvophobic effect and amphiphile self-assembly in ionic liquids Chemical Society Reviews. ,vol. 42, pp. 1096- 1120 ,(2013) , 10.1039/C2CS35339C
Yasuhiro Umebayashi, Hiroshi Hamano, Shiro Seki, Babak Minofar, Kenta Fujii, Kikuko Hayamizu, Seiji Tsuzuki, Yasuo Kameda, Shinji Kohara, Masayoshi Watanabe, Liquid structure of and Li+ ion solvation in bis(trifluoromethanesulfonyl)amide based ionic liquids composed of 1-ethyl-3-methylimidazolium and N-methyl-N-propylpyrrolidinium cations. Journal of Physical Chemistry B. ,vol. 115, pp. 12179- 12191 ,(2011) , 10.1021/JP2072827
Ryo Kanzaki, Kuniaki Uchida, Shota Hara, Yasuhiro Umebayashi, Shin-ichi Ishiguro, Satoshi Nomura, Acid–Base Property of Ethylammonium Nitrate Ionic Liquid Directly Obtained Using Ion-selective Field Effect Transistor Electrode Chemistry Letters. ,vol. 36, pp. 684- 685 ,(2007) , 10.1246/CL.2007.684
Maggel Deetlefs, Christopher Hardacre, Mark Nieuwenhuyzen, Agilio A. H. Padua, Oonagh Sheppard, Alan K. Soper, Liquid structure of the ionic liquid 1,3-dimethylimidazolium bis[(trifluoromethyl)sulfonyl]amide. Journal of Physical Chemistry B. ,vol. 110, pp. 12055- 12061 ,(2006) , 10.1021/JP060924U
José N Canongia Lopes, Johnny Deschamps, Agílio AH Pádua, None, Modeling Ionic Liquids Using a Systematic All-Atom Force Field Journal of Physical Chemistry B. ,vol. 108, pp. 11250- 11250 ,(2004) , 10.1021/JP0362133
J. H. Hubbell, Wm. J. Veigele, E. A. Briggs, R. T. Brown, D. T. Cromer, R. J. Howerton, Atomic form factors, incoherent scattering functions, and photon scattering cross sections Journal of Physical and Chemical Reference Data. ,vol. 4, pp. 471- 538 ,(1975) , 10.1063/1.555523