Glucose solvation by the ionic liquid 1,3-dimethylimidazolium chloride: A simulation study

Journal of Physical Chemistry B

Volumn 111, Issue 49, 2007, Pages 13765-13774

  Youngs, T G A ^a   Hardacre, C ^a   Holbrey, J D ^a  

^a QUEEN'S UNIVERSITY BELFAST   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CHLORINE COMPOUNDS; COMPUTER SIMULATION; HYDROGEN BONDS; SOLVATION; SUGAR (SUCROSE);

GLUCOSE SOLVATION; IMIDAZOLIUM RING;

IONIC LIQUIDS;

EID: 38049156339     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp076728k     Document Type: Article

References (44)

1. Chem. Fibers Int. 2006, 56, 285.
2. Ionic liquids in synthesis; Wasserscheid, P., Welton, T., Eds.; Wiley-VCH: Weinheim, Germany, 2007.
3. Song, C. E. Chem. Comm. 2004, 1033-1043.
4. Sheldon, R. Chem. Comm. 2001, 2399-2407.
5. Wasserscheid, P.; Keim, W. Angew. Chem., Int. Ed. 2000, 39, 3773-3789.
6. Antonietti, M.; Kuang, D.; Smarsly, B.; Xhou, Y. Angew. Chem., Int. Ed. 2004, 43, 4988-4492.
7. Davis, J. H.; Fox, J. P. A. Chem. Comm. 2003, 1209-1212.
8. Dupont, J.; de Souza, R. F.; Suarez, P. A. Z. Chem. Rev. 2002, 102, 3667-3691.
9. Hardacre, C Annu. Rev. Mater. Res. 2005, 35, 29-49.
10. Pârvulescu, V. I.; Hardacre, C. Chem. Rev. 2007, 107, 2615-2665.
11. media.basf.com/en/presse/mitteilungen/poollink.htm?pmid-2403, 2006.
12. Swatloski, R. P.; Spear, S. K.; Holbrey, J. D.; Rogers, R. D. J. Am. Chem. Soc. 2002, 124, 4974-4975.
13. Remsing, R. C.; Swatloski, R. P.; Rogers, R. D.; Moyna, G. Chem. Comm. 2006, 1271-1273.
14. Zhang, J.; Wu, H.; Zhang, J.; He, J. Macromolecules 2005, 38, 8272-8277.
15. Zhu, S.; Wu, Y.; Chen, Q.; Yu, Z.; Wang, C.; Jin, S.; Ding, Y.; Wu, G. Green Chem. 2006, 8, 325-327.
16. Graenacher, C Cellulose solution. U.S. Patent 1,943,176, 1934.
17. Liu, Z. W.; Remsing, R. C.; Moore, P. B.; Moyna, G. Abs. Pap. Am. Chem. Soc. 2006, 231, 40-IEC.
18. Youngs, T. G. A.; Holbrey, J. D.; Deetlefs, M.; Nieuwenhuyzen, M.; Gomes, M. F. C ChemPhysChem 2006, 7, 2279-2281.
19. Mason, P. E.; Neilson, G. W.; Enderby, J. E.; Saboungi, M. L.; Brady, J. W. J. Phys. Chem. B 2005, 109, 13104-13111.
20. Mason, P. E.; Neilson, G. W.; Enderby, J. E.; Saboungi, M. L.; Brady, J. W. J. Am. Chem. Soc. 2005, 127, 10991-10998.
21. Mason, P. E.; Neilson, G. W.; Enderby, J. E.; Saboungi, M. L.; Cuello, G.; Brady, J. W. J. Chem. Phys. 2006, 125, 224505.
22. Humeres, E.; Mascayano, C.; Riadi, G.; Gonzalez-Nilo, F. J. Phys. Org. Chem. 2006, 19, 896-901.
23. Tanaka, F.; Okamura, K. Cellulose 2005, 12, 243-252.
24. Pereira, C. S.; Kony, D.; Baron, R.; Muller, M.; van Gunsteren, W. F.; Hunenberger, P. H. Biophys. J. 2006, 90, 4337-4344.
25. Molteni, C.; Parrinello, M. J. Am. Chem. Soc. 1998, 120, 2168-2171.
26. Qian, X. H.; Nimios, M. R.; David, M.; Johnson, D. K.; Himmel, M. E. Carbohydr. Res. 2005, 340, 2319-2327.
27. Derecskei, B.; Derecskei-Kovacs, A. Mol. Simul. 2006, 32, 109-115.
28. Smith, W.; Leslie, M.; Forester, T. R. DL POLY v2.15, Daresbury Laboratories: U.K., 2004.
29. Canongia Lopes, J. N.; Deschamps, J.; Padua, A. A. H. J. Phys. Chem. B. 2004, 108, 2038-2047.
30. Jorgensen, W. L.; Tirado-Rives, J. Abs. Pap. Am. Chem. Soc. 1998, 276, U696.
31. Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Elbert, S. T.; Gordon, M. S.; Jensen, J. H.; Koseki, S.; Matsunaga, N.; Nguyen, K. A.; Su, S.; Windus, T. L.; Dupuis, M.; Montgomery, J. A. J. Comput. Chem. 1993, 14, 1347-1363.
32. Gordon, M. S.; Schmidt, M. W. In Theory and Applications of Computational Chemistry: the first forty years; Dykstra, C. E., Frenking, G., Kim, K. S., Scuseria, G. E., Eds.; Elsevier: Amsterdam, 2005; Chapter Advances in electronic structure theory: GAMESS a decade later, pp 1167-1189.
33. Hardacre, C.; Holbrey, J. D.; McMath, S. E. J. Chem. Comm. 2001, 4, 367-368.
34. Soper, A. K., Private communication 2005.
35. Soper, S. K.; Howells, W. S.; Hannon, A. C ATLAS - Analysis of time-of-flight diffraction data from liquid and amorphous samples; Technical Report RAL 89-046, 1989.
36. Hanke, C G.; Johansson, A.; Harper, J. B.; Lynden-Bell, R. M. Chem. Phys. Lett. 2003, 374, 85-90.
37. Deetlefs, M.; Hardacre, C.; Nieuwenhuyzen, M.; Sheppard, O.; Soper, A. K. J. Phys. Chem. B 2005, 109, 1593-1598.
38. Terraneo, G.; Potenza, D.; Canales, A.; Jiménez-Barbero, J.; Baldridge, K. K.; Bernardi, A. J. Am. Chem. Soc. 2007, 129, 2890-2900.
39. Fernández-Alonso, M. C.; Canada, F. J.; Jiménez-Barbero, J.; Cuevas, G. J. Am. Chem. Soc. 2005, 127, 7379-7386.
40. Sujatha, M. S.; Sasidhar, Y. U.; Balaji, P. V. Protein Sci. 2004, 13, 2502-2514.
41. Stoddart, J. F. Stereochemistry of carbohydrates; Wiley-Interscience: New York, 1971.
42. Bérces, A.; Whitfield, D. M.; Nukuda, T. Tetrahedron 2001, 57, 477-491.
43. Hong, G.; Jacquemin, J.; Husson, P.; Gomes, M. F. C.; Deetlefs, M.; Nieuwenhuyzen, O.; Sheppard, M.; Hardacre, C. Ind. Eng. Chem. Res. 2006, 45, 8180-8188.
44. Hardacre, C.; Holbrey, J. D.; Hughes, K.-A.; Youngs, T. G. A. In preparation.