Pairing of 1-hexyl-3-methylimidazolium and tetrafluoroborate ions in n-pentanol

Journal of Chemical Physics

Volumn 137, Issue 17, 2012, Pages

  Zhu, P ^a   Pratt, L R ^a   Papadopoulos, K D ^a  

^a Tulane University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING GEOMETRIES; COUNTERIONS; DIELECTRIC FRICTION; DIELECTRIC MODELS; DISSOCIATION CONSTANT; EXPERIMENTAL VALUES; ION PAIRS; MOLECULAR DISTANCES; MOLECULAR DYNAMICS SIMULATIONS; MULTIPLE CONFORMATIONS; N-PENTANOL; POTENTIAL OF MEAN FORCE; STRUCTURAL EFFECT; TETRAFLUOROBORATES; TIME-SCALE EFFECTS;

DISSOCIATION; MOLECULAR DYNAMICS; PLASMA INTERACTIONS;

IONS;

EID: 84868674168     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4764296     Document Type: Article

References (20)

1. T. Welton, Chem. Rev. 99, 2071 (1999). 10.1021/cr980032t
2. Specific Ion Effects, edited by, W. Kunz, (World Scientific, 2010).
3. P. Zhu, T. V. Harris, M. S. Driver, C. B. Campbell, L. R. Pratt, and K. D. Papadopoulos, J. Phys. Chem. C 113, 16458 (2009). 10.1021/jp9052693
4. P. G. Wolynes, J. Chem. Phys. 68, 473 (1978). 10.1063/1.435777
5. CRC Handbook of Chemistry and Physics, 92nd ed. (CRC, 2011-2012), Chap. 6, pp. 6-187, internet version.
6. T. L. Beck, M. E. Paulaitis, and L. R. Pratt, The Potential Distribution Theorem and Models of Molecular Solutions (Cambridge University Press, 2006).
7. S. Chempath, L. R. Pratt, and M. E. Paulaitis, J. Chem. Phys. 130, 054113 (2009). 10.1063/1.3072666
8. D. Asthagiri, P. D. Dixit, S. Merchant, M. E. Paulaitis, L. R. Pratt, S. B. Rempe, and S. Varma, Chem. Phys. Lett. 485, 1 (2010). 10.1016/j.cplett.2009. 12.013
9. P. Zhu, X. You, L. R. Pratt, and K. D. Papadopoulos, J. Chem. Phys. 134, 054502 (2011). 10.1063/1.3544680
10. R. Zwanzig, Nonequilibrium Statistical Mechanics (Oxford University Press, New York, 2001).
11. H. Stehfest, Commun. ACM 13, 47 (1970). 10.1145/361953.361969
12. H. V. R. Annapureddy and L. X. Dang, Specific ion interactions between carboxylate anions and alkali metal cations, Technical Report, 2012.
13. J. de Andrade, E. S. Böes, and H. Stassen, J. Phys. Chem. B 106, 13344 (2002). 10.1021/jp0216629
14. V. Hornak, R. Abel, A. Okur, B. Strockbine, A. Roitberg, and C. Simmerling, Proteins 65, 712 (2006). 10.1002/prot.21123
15. H. Kuhn, B. Breitzke, and H. Rehage, J. Colloid Interface Sci. 249, 152 (2002). 10.1006/jcis.2001.8149
16. J.-P. Ryckaert, G. Ciccotti, and H. J. C. Berendsen, J. Comput. Phys. 23, 327 (1977). 10.1016/0021-9991(77)90098-5
17. L. Martínez, R. Andrade, E. G. Birgin, and J. M. Martínez, J. Comput. Chem. 30, 2157 (2009). 10.1002/jcc.21224
18. A. Grossfield, WHAM: The weighted histogram analysis method, version 2.0.4, see http://membrane.urmc.rochester.edu/content/wham.
19. Y. Wu, H. L. Tepper, and G. A. Voth, J. Chem. Phys. 124, 024503 (2006). 10.1063/1.2136877
20. L. Yang, B. H. Fishbine, A. Migliori, and L. R. Pratt, J. Chem. Phys. 132, 044701 (2010). 10.1063/1.3294560