메뉴 건너뛰기




Volumn 112, Issue 31, 2008, Pages 9449-9455

Potential energy landscape of bis(fluorosulfonyl)amide

Author keywords

[No Author keywords available]

Indexed keywords

AMIDES;

EID: 49649106699     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp803309c     Document Type: Article
Times cited : (87)

References (20)
  • 1
    • 0004145285 scopus 로고    scopus 로고
    • Wasserscheid, P, Welton, T, Eds, Wiley-VCH Verlag: Weinheim, Germany
    • Ionic Liquids in Synthesis; Wasserscheid, P., Welton, T., Eds.; Wiley-VCH Verlag: Weinheim, Germany, 2003.
    • (2003) Ionic Liquids in Synthesis
  • 3
    • 0037478659 scopus 로고    scopus 로고
    • N-Methyl-N-propylpiperidinium bis(trifluoromethanesulfonyl)imide (PP13-TFSI)-novel electrolyte base for Li battery
    • Sakaebe, H.; Matsumoto, H. N-Methyl-N-propylpiperidinium bis(trifluoromethanesulfonyl)imide (PP13-TFSI)-novel electrolyte base for Li battery. Electrochem. Commun. 2003, 5, 594-598.
    • (2003) Electrochem. Commun , vol.5 , pp. 594-598
    • Sakaebe, H.1    Matsumoto, H.2
  • 5
    • 33750019970 scopus 로고    scopus 로고
    • Pure ionic liquid electrolytes compatible with a graphitized carbon negative electrode in rechargeable lithium-ion batteries
    • Ishikawa, M.; Sugimoto, T.; Kikuta, M.; Ishiko, E.; Kono, M. Pure ionic liquid electrolytes compatible with a graphitized carbon negative electrode in rechargeable lithium-ion batteries. J. Power Sources 2006, 162, 658-662.
    • (2006) J. Power Sources , vol.162 , pp. 658-662
    • Ishikawa, M.1    Sugimoto, T.2    Kikuta, M.3    Ishiko, E.4    Kono, M.5
  • 6
    • 39649083802 scopus 로고    scopus 로고
    • A tale of two ions: The conformational landscapes of bis(trifluoromethanesulfonyl)amide and n,n-dialkylpyrrolidinium
    • Canongia Lopes, J. N.; Shimizu, K.; Pádua, A. A. H.; Umebayashi, Y.; Fukuda, S.; Fujii, K.; Ishiguro, S. A tale of two ions: The conformational landscapes of bis(trifluoromethanesulfonyl)amide and n,n-dialkylpyrrolidinium. J. Phys. Chem. B 2008, 112, 1465-1472.
    • (2008) J. Phys. Chem. B , vol.112 , pp. 1465-1472
    • Canongia Lopes, J.N.1    Shimizu, K.2    Pádua, A.A.H.3    Umebayashi, Y.4    Fukuda, S.5    Fujii, K.6    Ishiguro, S.7
  • 7
    • 8344262237 scopus 로고    scopus 로고
    • Molecular force field for ionic liquids composed of triflate or bistriflylimide anions
    • Canongia Lopes, J. N.; Pádua, A. A. H. Molecular force field for ionic liquids composed of triflate or bistriflylimide anions. J. Phys. Chem. B 2004, 108, 16893-16898.
    • (2004) J. Phys. Chem. B , vol.108 , pp. 16893-16898
    • Canongia Lopes, J.N.1    Pádua, A.A.H.2
  • 8
    • 1342344772 scopus 로고    scopus 로고
    • Modeling ionic liquids using a systematic all-atom force field
    • Canongia Lopes, J. N.; Deschamps, L.; Pádua, A. A. H. Modeling ionic liquids using a systematic all-atom force field. J. Phys. Chem. B 2004, 108, 2038-2047.
    • (2004) J. Phys. Chem. B , vol.108 , pp. 2038-2047
    • Canongia Lopes, J.N.1    Deschamps, L.2    Pádua, A.A.H.3
  • 9
    • 0029912748 scopus 로고    scopus 로고
    • Development and testing of the OPLS all-atom force field on conformational energies and properties of organic liquids
    • Jorgensen, W. L.; Maxwell, D. S.; Tirado-Rives, J. Development and testing of the OPLS all-atom force field on conformational energies and properties of organic liquids. J. Am. Chem. Soc. 1996, 118, 11225-11236.
    • (1996) J. Am. Chem. Soc , vol.118 , pp. 11225-11236
    • Jorgensen, W.L.1    Maxwell, D.S.2    Tirado-Rives, J.3
  • 10
    • 36249001123 scopus 로고    scopus 로고
    • Anion conformation of low-viscosity room-temperature ionic liquid 1-ethyl-3-methylimidazolium bis(fluorosulfonyl) imide
    • Fujii, K.; Seki, S.; Fukuda, S.; Kanzaki, R.; Takamuku, T.; Umebayashi, Y.; Ishiguro, S. Anion conformation of low-viscosity room-temperature ionic liquid 1-ethyl-3-methylimidazolium bis(fluorosulfonyl) imide. J. Phys. Chem. B 2007, 111, 12829-12833.
    • (2007) J. Phys. Chem. B , vol.111 , pp. 12829-12833
    • Fujii, K.1    Seki, S.2    Fukuda, S.3    Kanzaki, R.4    Takamuku, T.5    Umebayashi, Y.6    Ishiguro, S.7
  • 11
    • 84906397651 scopus 로고    scopus 로고
    • Smith, W, Forester, T. R. The DL-POLY Package of Molecular Simulation Routines, version 2.13; The Council for the Central Laboratory of Research Councils: Daresbury Laboratory: Warrington, U.K, 1999
    • Smith, W.; Forester, T. R. The DL-POLY Package of Molecular Simulation Routines, version 2.13; The Council for the Central Laboratory of Research Councils: Daresbury Laboratory: Warrington, U.K., 1999.
  • 12
    • 0037206818 scopus 로고    scopus 로고
    • Torsion energy profiles and force fields derived from ab initio calculations for simulations of hydrocarbon-fluorocarbon diblocks and perfluoroalkylbromides
    • Padua, A. A. H. Torsion energy profiles and force fields derived from ab initio calculations for simulations of hydrocarbon-fluorocarbon diblocks and perfluoroalkylbromides. J. Phys. Chem. A 2002, 106, 10116-10123.
    • (2002) J. Phys. Chem. A , vol.106 , pp. 10116-10123
    • Padua, A.A.H.1
  • 13
    • 33750349101 scopus 로고    scopus 로고
    • Molecular force field for ionic liquids III: Imidazolium, pyridinium, and phosphonium cations; chloride, bromide, and dicyanamide anions
    • Canongia Lopes, J. N.; Pádua, A. A. H. Molecular force field for ionic liquids III: Imidazolium, pyridinium, and phosphonium cations; chloride, bromide, and dicyanamide anions. J. Phys. Chem. B 2006, 110, 19586-19592.
    • (2006) J. Phys. Chem. B , vol.110 , pp. 19586-19592
    • Canongia Lopes, J.N.1    Pádua, A.A.H.2
  • 14
    • 0001752768 scopus 로고    scopus 로고
    • The Cambridge Structural Database: A quarter million crystal structures and rising
    • Allen, F. H. The Cambridge Structural Database: A quarter million crystal structures and rising. Acta Crystallogr, Sect. B 2002, 58, 380-388.
    • (2002) Acta Crystallogr, Sect. B , vol.58 , pp. 380-388
    • Allen, F.H.1
  • 15
    • 84906368810 scopus 로고    scopus 로고
    • Frisch, M. J, Trucks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Montgomery, J. A, Jr, Vreven, T, Kudin, K. N, Burant, J. C, Millam, J. M, Iyengar, S. S, Tomasi, J, Barone, V, Mennucci, B, Cossi, M, Scalmani, G, Rega, N, Petersson, G. A, Nakatsuji, H, Hada, M, Ehara, M, Toyota, K, Fukuda, R, Hasegawa, J, Ishida, M, Nakajima, T, Honda, Y, Kitao, O, Nakai, H, Klene, M, Li, X, Knox, J. E, Hratchian, H. P, Cross, J. B, Bakken, V, Adamo, C, Jaramillo, J, Gomperts, R, Stratmann, R. E, Yazyev, O, Austin, A. J, Cammi, R, Pomelli, C, Ochterski, J. W, Ayala, P. Y, Morokuma, K, Voth, G. A, Salvador, P, Dannenberg, J. J, Zakrzewski, V. G, Dapprich, S, Daniels, A. D, Strain, M. C, Farkas, O, Malick, D. K, Rabuck, A. D, Raghavachari, K, Foresman, J. B, Ortiz, J. V, Cui, Q, Baboul, A. G, Clifford, S, Cioslowski, J, Stefanov, B. B, Liu, G, Liashenko, A, Piskorz, P, Komaromi, I, Martin, R. L, Fox, D. J, Keit
    • Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; AlLaham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision C.05; Gaussian, Inc.: Wallingford, CT, 2004.
  • 16
    • 0029011701 scopus 로고    scopus 로고
    • Cornell, W. D.; Cieplak, P.; Bayly, C. I.; Gould, I. R.; Merz, K. M.; Fergusin, D. M.; Spellmeyer, D. C.; Fox, T.; Caldwell, J. W.; Kollman, P. A. A second generation force field for the simulation of proteins, nucleic acids, and organic molecules. J. Am. Chem. Soc. 1995, 117, 5179-5197.
    • Cornell, W. D.; Cieplak, P.; Bayly, C. I.; Gould, I. R.; Merz, K. M.; Fergusin, D. M.; Spellmeyer, D. C.; Fox, T.; Caldwell, J. W.; Kollman, P. A. A second generation force field for the simulation of proteins, nucleic acids, and organic molecules. J. Am. Chem. Soc. 1995, 117, 5179-5197.
  • 17
    • 11944251068 scopus 로고
    • Maximally diagonal force constants in dependent angle-bending coordinates. II. Implications for the design of empirical force fields
    • Halgren, T. A. Maximally diagonal force constants in dependent angle-bending coordinates. II. Implications for the design of empirical force fields. J. Am. Chem. Soc. 1990, 112, 4710-4723.
    • (1990) J. Am. Chem. Soc , vol.112 , pp. 4710-4723
    • Halgren, T.A.1
  • 18
    • 0036263506 scopus 로고    scopus 로고
    • Structural characterization of novel ionic materials incorporating the bis(trifluoromethanesulfonyl)amide anion
    • Forsyth, C. M.; MacFarlane, D. R.; Golding, J. J.; Huang, J.; Sun, J.; Forsyth, M. Structural characterization of novel ionic materials incorporating the bis(trifluoromethanesulfonyl)amide anion. Chem. Mater. 2002, 14, 2103-2108.
    • (2002) Chem. Mater , vol.14 , pp. 2103-2108
    • Forsyth, C.M.1    MacFarlane, D.R.2    Golding, J.J.3    Huang, J.4    Sun, J.5    Forsyth, M.6
  • 20
    • 33646410671 scopus 로고    scopus 로고
    • Conformational equilibrium of bis(trifluoromethanesulfonyl) imide anion of a room-temperature ionic liquid: Raman spectroscopic study and DFT calculations
    • Fujii, K.; Fujimori, T.; Takamuku, T.; Kanzaki, R.; Umebayashi, Y.; Ishiguro, S. Conformational equilibrium of bis(trifluoromethanesulfonyl) imide anion of a room-temperature ionic liquid: Raman spectroscopic study and DFT calculations. J. Phys. Chem. B 2006, 110, 8179-8183.
    • (2006) J. Phys. Chem. B , vol.110 , pp. 8179-8183
    • Fujii, K.1    Fujimori, T.2    Takamuku, T.3    Kanzaki, R.4    Umebayashi, Y.5    Ishiguro, S.6


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.