Thermal and structural properties of ethylammonium chloride and its mixture with water

Journal of Physical Chemistry B

Volumn 115, Issue 17, 2011, Pages 4887-4899

  Migliorati, Valentina ^a   Ballirano, Paolo ^a   Gontrani, Lorenzo ^a   Triolo, Alessandro ^b   Caminiti, Ruggero ^a  

^a SAPIENZA UNIVERSITY OF ROME   (Italy)

^b CNR   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPY; CHLORINE COMPOUNDS; COMPUTER SIMULATION; DIFFRACTION; IONS; MIXTURES; MOLECULAR DYNAMICS; MOLECULES; REFINING; X RAY DIFFRACTION; X RAY POWDER DIFFRACTION;

AMBIENT CONDITIONS; ANISOTROPIC INTERACTION; DIRECT METHOD; EXCESS VOLUME; HIGH TEMPERATURE; HYDRATION SHELL; IN-SITU; INTEGRATED APPROACH; INTERACTION POTENTIALS; ION PAIRS; LOW TEMPERATURES; MOLECULAR DYNAMICS SIMULATIONS; POLYMORPHIC TRANSITIONS; POWDER DIFFRACTION; SPACE GROUPS; STRUCTURAL BEHAVIORS; TEMPERATURE DEPENDENCE; WATER CLUSTER; WATER MODELS; WATER MOLECULE; WATER-WATER; X-RAY DIFFRACTION MEASUREMENTS; X-RAY POWDER;

THERMAL EXPANSION;

EID: 79955504347     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp2010138     Document Type: Article

References (66)

1. Wasserscheid, P.; Welton, T., Eds.; Ionic liquids in synthesis; Wiley-VCH: Weinheim, 2002.
2. Rogers, R. D.; Seddon, K. R., Eds.; Ionic liquids; Industrial applications for green chemistry. ACS Symposium Series 818; American Chemical Society: Washington DC, 2002.
3. Ratcliffe, C. I.; Sherman, W. I.; Wilkinson, G. R. J. Raman Spectrosc. 1982, 13, 189
4. Prasad, P. S. R. J. Phys. Chem. 1996, 100, 888
5. Cambridge Crystallographic Data Centre (CCDC) code ZZZIZM01.
6. Jellinek, F. Acta Crystallogr. 1958, 11, 626
7. Tsau, J.; Gilson, D. F. R. J. Phys. Chem. 1968, 72, 4082
8. Singh, N. J.; Mitra, S. Thermochim. Acta 1992, 197, 341
9. Sathaiah, S.; Sarin, V. N.; Bist, H. D. J. Phys.: Condens. Matter 1989, 1, 7829
10. Ratcliffe, C. I. Can. J. Chem. 2004, 82, 1517
11. Seddon, K. R.; Stark, A.; Torres, M.-J. Pure Appl. Chem. 2000, 72, 2275
12. Seddon, K. R.; Stark, A. Green Chem. 2002, 4, 119
13. Anthony, J. L.; Maginn, E.; Brennecke, J. F. J. Phys. Chem. B 2001, 105, 10942
14. Cammarata, L.; Kazarian, S. G.; Salter, P. A.; Welton, T. Phys. Chem. Chem. Phys. 2001, 3, 5192
15. Mele, A.; Tran, C. D.; De Paoli Lacerda, S. H. Angew. Chem., Int. Ed. 2003, 42, 4364
16. Miki, K.; Westh, P.; Nishikawa, K.; Koga, Y. J. Phys. Chem. B 2005, 109, 9014
17. Schröder, C.; Rudas, T.; Neumayr, G.; Benkner, S.; Steinhauser, O. J. Chem. Phys. 2007, 127, 234503
18. Hanke, C. G.; Lynden-Bell, R. M. J. Phys. Chem. B 2003, 107, 10873
19. Fazio, B.; Triolo, A.; Di Marco, G. J. Raman Spectrosc. 2008, 39, 233
20. Gontrani, L; Russina, O.; Lo Celso, F.; Caminiti, R.; Annat, G.; Triolo, A. J. Phys. Chem. B 2009, 113, 9235
21. Ballirano, P.; Melis, E. Phys. Chem. Miner. 2007, 12, 289
22. Ballirano, P.; Melis, E. Phys. Chem. Miner. 2009, 36, 319
23. Ballirano, P.; Melis, E. Phys. Chem. Miner. 2009, 36, 391
24. Ballirano, P.; Sadun, C. Struct. Chem. 2009, 20, 815
25. Ballirano, P.; Caminiti, R. J. Phys. Chem. A 2009, 113, 7774
26. Larson, A. C.; Von Dreele, R. B. GSAS General Structure Analysis System; LAUR 86-748; Los Alamos National Laboratory, The Regents of the University of California, 2000.
27. Toby, B. H. J. Appl. Crystallogr. 2001, 34, 210
28. Thompson, P.; Cox, D. E.; Hastings, J. B. J. Appl. Crystallogr. 1987, 20, 79
29. Finger, L. W.; Cox, D. E.; Jephcoat, A. P. J. Appl. Crystallogr. 1994, 27, 892
30. Baerlocher, C. H. Restraints and constraints in Rietveld refinement. In The Rietveld Method; Young, R. A., Ed.; Oxford Science: Oxford, 1993, Chapter 10.
31. Von Dreele, R. B. J. Appl. Crystallogr. 1997, 30, 517
32. Young, R. A. Introduction to the Rietveld method. In: The Rietveld Method; Young, R. A., Ed.; Oxford: Oxford, 1993; pp 1 - 38.
33. Bruker, A. X. S. Topas V4.2: General profile and structure analysis software for powder diffraction data.; Bruker AXS: Karlsruhe, Germany, 2009.
34. Werner, P. E.; Eriksson, L.; Westdahl, M. J. Appl. Crystallogr. 1985, 18, 367
35. de Wollf, P. M. J. Appl. Crystallogr. 1968, 1, 108
36. Smith, G. S.; Snyder, R. L. J. Appl. Crystallogr. 1979, 12, 60
37. Caminiti, R.; Sadun, C.; Rossi, V.; Cilloco, F.; Felici, R. Patent No. 01261484; June 23, 1993.
38. Rossi Albertini, V.; Bencivenni, L.; Caminiti, R.; Cilloco, F.; Sadun, C. J. Macromol. Sci. Phys. B 1996, 35, 199
39. Atzei, D.; Ferri, T.; Sadun, C.; Sangiorgio, P.; Caminiti, R. J. Am. Chem. Soc. 2001, 123, 2552
40. Carbone, M.; Caminiti, R.; Sadun, C. J. Mater. Chem. 1996, 6, 1709
41. Abis, L.; DellAmico, D. B.; Busetto, C.; Calderazzo, F.; Caminiti, R.; Ciofi, C.; Garbassi, F.; Mascarelli, G. J. Mater. Chem. 1998, 8, 751
42. Smith, W.; Forester, T. J. Mol. Graphics 1996, 14, 136
43. 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.; Al-Laham, 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.02, Gaussian, Inc., Wallingford CT, 2004.
44. Breneman, C. M.; Wiberg, K. B. J. Comput. Chem. 1990, 11, 361
45. Canongia Lopes, J. N.; Pádua, A. A. H. J. Phys. Chem. B 2004, 108, 16893
46. Canongia Lopes, J. N.; Deschamps, J.; Pádua, A. A. H. J. Phys. Chem. B 2004, 108, 2038
47. Berendsen, H. J. C.; Grigera, J. R.; Straatsma, T. P. J. Phys. Chem. 1987, 91, 6269
48. Mahoney, M. W.; Jorgensen, W. L. J. Chem. Phys. 2000, 112, 8910
49. Evans, D. J.; Holian, B. L. J. Chem. Phys. 1985, 83, 4069
50. Nosé, S. J. Chem. Phys. 1984, 81, 511
51. Pings, C. J.; Waser, J. J. Chem. Phys. 1968, 48, 3016
52. Berendsen, H. J. C.; van der Spool, D.; van Drunen, R. Comput. Phys. Commun. 1995, 91, 43
53. Mercury 2.3; Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge, England 2002.
54. Fei, Y. Thermal expansion. In Mineral physics and crystallography: A handbook of physical constants; Ahrens, T. J., Ed.; American Geophysical Union: Washington, DC, 1995; Vol 2; pp 29 - 44.
55. Choi, C. S.; Prask, H. J. Acta Crystallogr. 1983, B39, 414
56. Altomare, A.; Burla, M. C.; Camalli, M.; Carrozzini, B.; Cascarano, G.; Giacovazzo, C.; Guagliardi, A.; Moliterni, A. G. G.; Polidori, G.; Rizzi, R. J. Appl. Crystallogr. 1999, 32, 339
57. Altomare, A.; Burla, M. C.; Camalli, M.; Cascarano, G.; Giacovazzo, C.; Guagliardi, A.; Moliterni, A. G. G.; Polidori, G.; Spagna, R. J. Appl. Crystallogr. 1999, 32, 115
58. Chandrasekhar, J.; Spellmeyer, D. C.; Jorgensen, W. L. J. Am. Chem. Soc. 1984, 106, 903
59. Pálinkás, G.; Riede, O.; Heinzinger, K. Z. Naturforsch. A 1977, 32, 1197
60. Dang, L. X.; Smith, D. E. J. Chem. Phys. 1993, 99, 6950
61. Krienke, H.; Vlachy, V.; Ahn-Ercan, G.; Bakó, I. J. Phys. Chem. B 2009, 113, 4360
62. Caminiti, R.; Licheri, G.; Piccaluga, G.; Pinna, G.; Radnai, T. J. Chem. Phys. 1979, 71, 2473
63. Caminiti, R.; Licheri, G.; Paschina, G.; Piccaluga, G.; Pinna, G. Z. Naturforsch. 1980, 35a, 1361
64. Caminiti, R.; Musinu, A.; Paschina, G.; Pinna, G. J. Appl. Crystallogr. 1982, 15, 482
65. Ohtaki, H.; Radnai, T. Chem. Rev. 1993, 93, 1157
66. Spickermann, C.; Thar, J.; Lehmann, S. B. C.; Zahn, S.; Hunger, J.; Buchner, R.; Hunt, P. A.; Welton, T.; Kirchner, B. J. Chem. Phys. 2008, 129, 104505