DFT study on the structure and cation-anion interaction of amino acid ionic liquid of [C3mim]+[Glu]-

Journal of Molecular Structure: THEOCHEM

Volumn 952, Issue 1-3, 2010, Pages 16-24

  Zhang, Ying ^a   Chen, Xiu Ying ^a   Wang, Hai Jun ^a   Diao, Kai Sheng ^a,b   Chen, Jian Ming ^a  

^a JIANGNAN UNIVERSITY   (China)

^b GUANGXI UNIVERSITY FOR NATIONALITIES   (China)

Author keywords

C3mim + Glu ion pairs; Amino acid ionic liquid; Cation anion interaction; Density functional theory

Indexed keywords

EID: 77954816028     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2010.03.033     Document Type: Article

References (50)

1. Welton T. Chem. Rev. 1999, 99:2071.
2. Rogers R.D., Seddon K.R. Science 2003, 302:792.
3. Holbrey J.D., Seddon K.R. Clean. Prod. Process. 1999, 1:223.
4. Seddon K.R. Nat. Mater. 2003, 2:363.
5. Horvath I.T. Green. Chem. 2008, 10:1024.
6. Shibayama W., Narita A., Matsumi N., Ohno H. J. Organomet. Chem. 2009, 694:1642.
7. Wasserscheid P., Welton T. Ionic Liquids in Synthesis 2008, Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany.
8. Galinski M., Lewandowski A., Stepniak I. Electrochim. Acta 2006, 51:5567.
9. Parvulescu V.I., Hardacre C. Chem. Rev. 2007, 107:2615.
10. Plechkova N.V., Seddon K.R. Chem. Soc. Rev. 2008, 37:123.
11. Rogers R.D., Seddon K.R. Ionic Liquids: Industrial Applications for Green Chemistry 2002, American Chemical Society, USA.
12. Ohno H., Fukumoto K. Acc. Chem. Res. 2007, 40:1122.
13. Fukumoto K., Yoshizawa M., Ohno H. J. Am. Chem. Soc. 2005, 127:2398.
14. Tao G.H., He L., Sun N., Kou Y. Chem. Commun. 2005, 28:3562.
15. Tao G., He L., Liu W., Xu L., Xiong W., Wang T., Kou Y. Green Chem. 2006, 8:639.
16. Luo S.P., Xu D.Q., Yue H.D., Wang L.P., Yang W.L., Xu Z.Y. Tetrahedron: Asymmetry 2006, 17:2028.
17. Plaquevent J.C., Levillain J., Guillen F., Malhiac C., Gaumont A.C. Chem. Rev. 2008, 108:5035.
18. Chen X., Li X., Hu A., Wang F. Tetrahedron: Asymmetry 2008, 19:1.
19. Fang D.W., Guan W., Tong J., Wang Z.W., Yang J.Z. J. Phys. Chem. B 2008, 112:7499.
20. Yang J.Z., Zhang Q.G., Wang B., Tong J. J. Phys. Chem. B 2006, 110:22521.
21. S.J. Zhang, X.M. Lv, Ionic Liquids - from Fundamentals to Applications, Scientific Publish Ltd., Beijing, China, 2006.
22. Dieter K.M., Dymek C.J., Heimer N.E., Rovang J.W., Wilkes J.S. J. Am. Chem. Soc. 1988, 110:2722.
23. Gutowski K.E., Holbrey J.D., Rogers R.D., Dixon D.A. J. Phys. Chem. B 2005, 109:23196.
24. Gutowski K.E., Rogers R.D., Dixon D.A. J. Phys. Chem. B 2007, 111:4788.
25. Meng Z., Dolle A., Carper W.R. J. Mol. Struct. (Theochem) 2002, 585:119.
26. Talaty E.R., Raja S., Storhaug V.J., Dolle A., Robert C.W. J. Phys. Chem. B 2004, 108:13177.
27. Mou Z., Li P., Bu Y., Wang W., Shi J., Song R. J. Phys. Chem. B 2008, 112:5088.
28. Rong H., Li W., Chen Z., Wu X. J. Phys. Chem. B 2008, 112:1451.
29. Li W., Qi C., Wu X., Rong H., Gong L. J. Mol. Struct. (Theochem) 2008, 855:34.
30. Koch W., Holthausen M.C. A Chemist's Guide to Density Functional Theory 2000, Wiley-VCH, New York.
31. Parr R.G., Yang W. Density-Functional Theory of Atoms and Molecules 1989, Oxford Science, Oxford.
32. Magalhaes A.L., Madail S.R.R.S., Ramos M.J. Theor. Chem. Acc. 2000, 105:68.
33. Fuqiang B., Kathryn N.R., James W.G., Russell J.B. Theor. Chem. Acc. 2002, 108:1.
34. Loos P.F., Assfeld X., Rivail J.L. Theor. Chem. Acc. 2007, 118:165.
35. Clark T., Chandrasekhar J., Spitznagel G.W., Schleyer P.V.R. J. Comp. Chem. 1983, 4:294.
36. Frisch M.J., Pople J.A., Binkley J.S. J. Chem. Phys. 1984, 80:3265.
37. F.B. van Duijineveldt, J.C.M. van Duijineveldt-van de Rijdt, J.H. van Lenthe, Chem. Rev. 94 (1994) 1873.
38. Boys S.F., Bernardi F. Mol. Phys. 1970, 19:553.
39. Reed A.E., Curtiss L.A., Weinhold F. Chem. Rev. 1988, 88:899.
40. Foster J.P., Weinhold F. J. Am. Chem. Soc. 1980, 102:7211.
41. Biegler-Konig F., Bader R.F., IM A. Version 2000, 2:2002.
42. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Montgomery J.A., Vreven T.J., 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., 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 2003, Gaussian, Inc., Pittsburgh, PA.
43. Dong K., Zhang S., Wang D., Yao X. J. Phys. Chem. A 2006, 110:9775.
44. Sun W., Kinsel G.R., Marynick D.S. J. Phys. Chem. A 1999, 103:4113.
45. Li Z., Matus M.H., Velazquez H.A., Dixon D.A., Cassady C.J. Int. J. Mass Spectrum. 2007, 265:213.
46. Bondi A. J. Phys. Chem. 1964, 68:441.
47. Ren X.H., Wang H.J. J. Solution Chem. 2009, 38:303.
48. Zhang Y.H., Hao J.K., Wang X., Zhou W., Tang T.H. J. Mol. Struct. (Theochem) 1998, 455:85.
49. Bader R.F.W. Atoms in Molecules: A Quantum Theory, International Series of Monographs in Chemistry 1990, Oxford University Press, Oxford.
50. Miehlich B., Savin A., Stoll H., Preuss H. Chem. Phys. Lett. 1989, 157:200.