Structure of the molten salt methyl ammonium nitrate explored by experiments and theory

Journal of Physical Chemistry B

Volumn 115, Issue 45, 2011, Pages 13149-13161

  Bodo, E ^a   Postorino, P ^a,b   Mangialardo, S ^a   Piacente, G ^c   Ramondo, F ^c   Bosi, F ^a   Ballirano, P ^a   Caminiti, R ^a  

^a SAPIENZA UNIVERSITY OF ROME   (Italy)

^b INFN LABORATORI NAZIONALI DI FRASCATI   (Italy)

^c UNIVERSITY OF L'AQUILA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

FUSED SALTS; NATURAL FREQUENCIES; RAMAN SCATTERING; RAMAN SPECTROSCOPY; X RAY POWDER DIFFRACTION;

AB INITIO; AB INITIO SIMULATIONS; AMMONIUM NITRATE; BULK PHASIS; EXPERIMENTAL EVIDENCE; GEOMETRIC STRUCTURE; HYDROGEN BONDING NETWORK; MOLTEN SALT; SMALL CLUSTERS; SOLID PHASIS; THEORETICAL SPECTRA; X RAY DATA;

AMMONIUM COMPOUNDS;

EID: 80855134370     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp2070002     Document Type: Article

References (59)

1. Stark, A.; Seddon, K. R. In Kirk-Othmer Encyclopaedia of Chemical Technology, 5 th ed.; Seidel, A., Ed.; John Wiley & Sons, Inc.: Hoboken, NJ, 2007; Vol. 26, pp 836-920.
2. Freemantle, M. An Introduction to Ionic Liquids; RSC Publishing, 2009; p 281.
3. Plechkova, N. V.; Seddon, K. R. Chem. Soc. Rev. 2008, 37, 123-150
4. In Ionic Liquids Synthesis, 2 nd ed.; Welton, T.; Wasserscheid, P., Eds.; Wiley VCH: Weinheim, 2008; p 721.
5. In Ionic Liquids IIIA: Fundamentals, Progress, Challenges, and Opportunities: Properties and Structure; Rogers, R. D.; Seddon, K. R., Eds.; ACS Symposium Series 901; American Chemical Society: Washington, D.C., 2005; p 356.
6. In Ionic Liquids: From Knowledge to Application; Rogers, R. D.; Plechkova, N. V.; Seddon, K. R., Eds.; ACS Symposium Series 1030; American Chemical Society: Washington, D.C., 2009; p 464.
7. Forsyth, S. A.; Pringle, J. M.; MacFarlane, D. R. Aust. J. Chem. 2004, 57, 113-119
8. Zeng, Z.; Phillips, B. S.; Xiao, J.-C.; Shreeve, J. M. Chem. Mater. 2008, 20, 2719-2726
9. Hough, W. L.; Rogers, R. D. Bull. Chem. Soc. Jpn. 2007, 80, 2262-2269
10. Hough, W. L.; Smiglak, M.; Rodriguez, H.; Swatloski, R. P.; Spear, S. K.; Daly, D. T.; Pernak, J.; Grisel, J. E.; Carliss, R. D.; Soutullo, M. D.; Davis, J. H., Jr.; Rogers, R. D. New J. Chem. 2007, 31, 1429-1436
11. Mizuuchi, H.; Jaitely, V.; Murdan, S.; Florence, A. Eur. J. Pharm. Sci. 2008, 33, 326
12. Boon, J. A.; Levisky, J. A.; Pflug, J. L.; Wilkes, J. S. J. Org. Chem. 1986, 51, 480-3
13. Fischer, T.; Sethi, A.; Welton, T.; Woolf, J. Tetrahedron Lett. 1999, 40, 793-796
14. Wasserscheid, P.; Keim, W. Angew. Chem., Int. Ed. 2000, 39, 3772-3789
15. Welton, T. Chem. Rev. 1999, 99, 2071-2083
16. Koel, M. C. Rev. Anal. Chem. 2005, 35, 177
17. Tan, S. S. Y.; MacFarlane, D. R.; Upfal, J.; Edye, L. A.; Doherty, W. O. S.; Patti, A. F.; Pringle, J. M.; Scott, J. L. Green Chem. 2009, 11, 339
18. Sun, H.; Zhang, D.; Liu, C.; Zhang, C. THEOCHEM 2009, 900, 37
19. Buzzeo, M. C.; Evans, R. G.; Compton, R. G. ChemPhysChem 2004, 5, 1106
20. Endres, F.; Abedin, S. Z. E. Phys. Chem. Chem. Phys. 2006, 8, 2101
21. Hapiot, P.; Lagrost, C. Chem. Rev. 2008, 108, 2238
22. MacFarlane, D. R.; Forsyth, M.; Howlett, P. C.; Pringle, J. M.; Sun, J.; Annat, G.; Neil, W.; Izgorodina, E. I. Acc. Chem. Res. 2007, 40, 1165
23. Maginn, E. J. J. Phys. Condens. Matter 2009, 21, 373101
24. Angell, C. A.; Byrne, N.; Belieres, J.-P. Acc. Chem. Res. 2007, 40, 1228-1236
25. Greaves, T. L.; Drummond, C. J. Chem. Rev. 2008, 108, 206-237
26. Xu, W.; Angell, C. A. Science 2003, 302, 422-425
27. Yoshizawa, M.; Xu, W.; Angell, C. A. J. Am. Chem. Soc. 2003, 125, 15411-15419
28. Nakamoto, H.; Watanabe, M. Chem. Commun. 2007, 2539-2541
29. Atkin, R.; Warr, G. G. J. Phys. Chem. B 2008, 112, 4164-4166
30. Greaves, T. L.; Weerawardena, A.; Krodkiewska, I.; Drummond, C. J. J. Phys. Chem. B 2008, 112, 896-905
31. Mamontov, E.; Luo, H.; Dai, S. J. Phys. Chem. B 2009, 113, 159-169
32. Walden, P. Bull Acad. Imper. Sci. (St. Petersburg) 1914, 1800
33. Wasylishen, R. E. Can. J. Chem. 1986, 64, 773
34. Zahn, S.; Thar, J.; Kirchner, B. J. Chem. Phys. 2010, 132, 124506
35. Zahn, S.; Wendler, K.; Delle Site, L.; Kirchner, B. Phys. Chem. Chem. Phys. 2011, 13, 15083-15093
36. Petrícek, V.; Dusek, M.; Palatinus, L. JANA2006; Institute of Physics: Praha, Czech Republic, 2006.
37. Mylrajan, M.; Srinivasan, T. K. K.; Sreenivasamurthy, G. J. Cryst. Spectr. Res. 1985, 15, 493
38. Gonschorek, W.; Schmahl, W. W.; Weitzel, H.; Miehe, G.; Fuess, H. Z. Kristallogr. 1995, 210, 843
39. Ballirano, P.; Melis, E. Phys. Chem. Miner. 2007, 12, 289-295
40. Larson, A. C.; Von Dreele, R. B. GSAS-General Structure Analysis System; Los Alamos National Laboratory Report No. LAUR 86-748. Los Alamos National Laboratory: Los Alamos, 2000.
41. Toby, B. H. J. Appl. Crystallogr. 2001, 34, 210
42. Thompson, P.; Cox, D. E.; Hastings, J. J. Appl. Crystallogr. 1987, 20, 79
43. Finger, L.; Cox, D.; Jephcoat, A. J. Appl. Crystallogr. 1994, 27, 892-900
44. Topas, B. A. V4.2: General profile and structure analysis software for powder diffraction data; Bruker AXS: Karlsruhe, Germany, 2009.
45. Robert, C.; Casella, G. Monte Carlo Statistical Methods; Springer-Verlag, 2004.
46. Hartke, B. J. Phys. Chem. 1993, 97, 9973-9976
47. Jorgensen, W. L.; Maxwell, D. S.; Tirado-Rives, J. J. Am. Chem. Soc. 1996, 117, 11225-11236
48. Lebrero, M. C. G.; Bikiel, D. E.; Elola, M. D.; Estrin, D. A.; Roitberg, A. E. J. Chem. Phys. 2002, 117, 2718-2725
49. http://dasher.wustl.edu/tinker/.
50. Frisch, M. J.; Gaussian 09, Revision A.1; Gaussian Inc.: Wallingford, CT, 2009.
51. Mallinson, P. R.; Koritsanzky, T.; Elkaim, E.; Li, N.; Coppens, P. Acta Crystallogr. 1998, A44, 336
52. Gonschorek, G.; Weitzel, H.; Miehe, G.; Fuess, H.; Schmahl, W. W. Z. Kristallogr. 2000, 215, 752
53. Chio, C. S.; Prask, H. J.; Prince, E. J. App. Crystallogr. 1980, 13, 403
54. Izgorodina, E. I.; Bernard, U. L.; MacFarlane, D. R. J. Phys. Chem. A 2009, 113, 7064-7072
55. Zahn, S.; Kirchner, B. J. Phys. Chem. A 2008, 112, 8430-8435
56. Fumino, K.; Wulf, A.; Ludwig, R. Angew. Chem., Int. Ed. 2009, 48, 3184-3186
57. Wulf, A.; Fumino, K.; Ludwig, R. Angew. Chem., Int. Ed. 2010, 49, 449-453
58. Mylrajan, M.; Srinivasan, T. J. Raman Spectrosc. 1985, 16
59. Mylrajan, M.; Srinivasan, T. J. Raman Spectrosc. 1987, 18