Ionic liquid based on α-amino acid anion and N7,N9-dimethylguaninium cation ([dMG][AA]): Theoretical study on the structure and electronic properties

Journal of Physical Chemistry A

Volumn 116, Issue 22, 2012, Pages 5436-5444

  Shakourian Fard, Mehdi ^a   Fattahi, Alireza ^a   Bayat, Ahmad ^a  

^a SHARIF UNIVERSITY OF TECHNOLOGY   (Iran)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; BOND CRITICAL POINTS; H-BONDS; HYBRID DENSITY FUNCTIONAL THEORY; HYDROGEN BONDING INTERACTIONS; INTERACTION ENERGIES; ION PAIRS; NATURAL BOND ORBITAL ANALYSIS; QUANTUM THEORY OF ATOMS IN MOLECULES; SIDE-CHAINS; STABLE CONFIGURATION; THEORETICAL STUDY;

AMINO ACIDS; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; IONIC LIQUIDS; NEGATIVE IONS; POSITIVE IONS; QUANTUM THEORY;

HYDROGEN BONDS;

AMINO ACID; ANION; CATION; DRUG DERIVATIVE; GUANINE; IONIC LIQUID;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; HYDROGEN BOND; QUANTUM THEORY;

AMINO ACIDS; ANIONS; CATIONS; COMPUTER SIMULATION; GUANINE; HYDROGEN BONDING; IONIC LIQUIDS; MODELS, MOLECULAR; QUANTUM THEORY;

EID: 84861875956     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp211774y     Document Type: Article

References (30)

1. Turner, E. A.; Pye, C. C.; Singer, R. D. J. Phys. Chem. A 2003, 107, 2277
2. Wilkes, J. S.; Zaworotko, M. J. J. Chem. Soc., Chem. Commun 1992, 13, 965
3. Welton, T. Chem. Rev. 1999, 99, 2071
4. Visser, A. E.; Swatloski, R. P.; Reichert, W. M.; Mayton, R.; Sheff, S.; Ierbicki, A.; Davis, J. H., Jr.; Rogers, R. D. Chem. Commun 2001, 1, 135
5. Yoshizawa, M.; Narita, A.; Ohno, H. Aust. J. Chem. 2004, 57, 139
6. Holbrey, J. D.; Seddon, K. R. Clean Products Processes 1999, 1, 223
7. Wu, Y.; Zhang, T. J. Phys. Chem. A 2009, 113, 12995
8. Singh, R. P.; Verma, R. D.; Meshri, D. T.; Shreeve, J. M. Angew.Chem., Int. Ed 2006, 45, 3584
9. Dymek, C. J.; Grossie, D. A.; Fratini, A. V.; Adams, W. W. J. Mol. Struct. 1989, 213, 25
10. Fukumoto, K.; Yoshizawa, M.; Ohno, H. J. Am. Chem. Soc. 2005, 127, 2398
11. Forsyth, S. A.; Pringle, J. M.; MacFarlane, D. R. Aust. J. Chem. 2004, 57, 113
12. Anderson, J. L.; Armstrong, D. W. Anal. Chem. 2003, 75, 4851
13. Anderson, J. L.; Ding, R.; Ellern, A.; Armstrong, D. W. J. Am. Chem. Soc. 2005, 127, 593
14. Xing, D.; Bu, Y.; Tan, X. J. Phys. Chem. A 2008, 112, 106
15. Xing, D.; Tan, X.; Zhang, C.; Bu, Y. J. Mol. Struct.: THEOCHEM 2010, 939, 82
16. Tao, G. H.; He, L.; Sun, N.; Kou, Y. Chem. Commun 2005, 28, 3562
17. Mou, Z. X.; Li, P.; Wang, W.; Shi, J.; Song, R. J. Phys. Chem. B 2008, 112, 5088
18. Rong, H.; Li, W.; Chen, Z. Y.; Wu, X. M. J. Phys. Chem. B 2008, 112, 1451
19. Spartan '06V102'; Wavefunction, Inc.: Irvine, CA.
20. Boys, S. F.; Bernardi, F. Mol. Phys. 1970, 19, 553
21. Bader, R. F. W. Atom in Molecules: A Quantum Theory; Oxford University Press: New York, 1990.
22. Bader, R. F. W. AIM2000 program package, Ver. 2.0; McMaster University: Hamilton, Ontario, Canada, 2002.
23. Bondi, A. J. Phys. Chem. 1964, 68, 441
24. Dong, K.; Zhang, S. J.; Wang, D.; Yao, X. Q. J. Phys. Chem. A 2006, 110, 9775
25. Dykstra, C. E. Acc. Chem. Res. 1988, 21, 355
26. Reed, A.; Curtiss, L. A.; Weinhold, F. Chem. Rev. 1988, 88, 899
27. Bader, R. F. W. Chem. Rev. 1991, 91, 893
28. Gao, H.; Zhang, Y.; Wang, H. J.; Liu, J.; Chen, J. J. Phys. Chem. A 2010, 114, 10243
29. Mohajeri, A.; Ashrafi, A. J. Phys. Chem. A 2011, 115, 6589
30. Mohajeri, A.; Fadaei, F. J. Phys. Chem. A 2008, 112, 281