Solvent triggered change of the electron excitation route of KI in supercritical NH3

Journal of Physical Chemistry B

Volumn 110, Issue 18, 2006, Pages 8921-8923

  Sciaini, Germán ^a   Marceca, Ernesto ^a   Fernández Prini, Roberto ^a,b  

^a UNIVERSIDAD DE BUENOS AIRES   (Argentina)

^b DEPARTAMENTO DE FÍSICA   (Argentina)

Author keywords

[No Author keywords available]

Indexed keywords

ALKALI METALS; CHARGE TRANSFER; ELECTRONIC STRUCTURE; HALOGEN COMPOUNDS; MOLECULAR DYNAMICS; SOLVENTS;

CONTACT ION PAIRS (CIP); ION PAIRS; PHOTOEXCITATION; SOLVENT DENSITIES;

AMMONIA;

EID: 33744780430     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp061110g     Document Type: Article

References (30)

1. (a) Fox, M. A. Chem. Rev. 1992, 92, 365.
2. (b) Davidson, V. L. Biochemistry 2002, 41, 14634.
3. Martini, I. B.; Barthel, E. R.; Schwartz, B. J. Science 2001, 293, 462.
4. Davidovits, P.; Brodhead, D. C. J. Chem. Phys. 1967, 46, 2968.
5. (a) Berry, R. S. In Alkali Halide Vapors; Davitovits, P., McFadden, D. L., Eds.; Academic: New York, 1979; see also references therein for earlier work.
6. (b) Foth, H. J.; Polanyi, J. C.; Telle, H. H. J. Phys. Chem. 1982, 86, 5027.
7. (c) Rose, T. S.; Rosker, M. J.; Zewail, A. H. J. Chem. Phys. 1989, 91, 7415.
8. (a) Grégoire, G.; Mons, M.; Dimicoli, I.; Dedonder-Lardeux, C.; Jouvet, C.; Martrenchard, S.; Solgadi, D. J. Chem. Phys. 1999, 110, 1521.
9. (b) Grégoire, G.; Mons, M.; Dimicoli, I.; Dedonder-Lardeux, C.; Jouvet, C.; Martrenchard, S.; Solgadi, D. J. Chem. Phys. 2000, 112, 8794.
10. (c) Dedonder-Lardeux, C.; Grégoire, G.; Jouvet, C.; Martrenchard, S.; Solgadi, D. Chem. Rev. 2000, 100, 4023.
11. (a) Blandamer, M. J.; Fox, M. F. Chem. Rev. 1970, 70, 59.
12. (b) Sheu, W. S.; Rossky, P. J. Chem. Phys. Lett. 1993, 213, 233.
13. (c) Staib, A.; Borgis, D. J. Chem. Phys. 1996, 104, 9027.
14. (d) Sheu, W. S.; Rossky, P. J. J. Phys. Chem. 1996, 100, 1295.
15. Bradforth, S. E.; Jungwirth, P. J. Phys. Chem. A 2002, 106, 1286.
16. (a) Serxner, D.; Dessent, C. E.; Johnson, M. A. J. Chem. Phys. 1996, 105, 7231.
17. (b) Greenblatt, B. J.; Zanni, M. T.; Neumark, D. M. Discuss. Faraday Soc. 1997, 108, 101.
18. (c) Lehr, L.; Zanni, M. T.; Frischkorn, C.; Weinkauf, R.; Neumark, D. M. Science 1999, 284, 635.
19. (d) Elola, M. D.; Laria, D. J. Chem. Phys. 2002, 117, 2238.
20. Sciaini, G.; Marceca, E.; Fernández-Prini, R. J. Supercrit. Fluids 2005, 35, 106.
21. Sciaini, G.; Marceca, E.; Fernández-Prini, R. J. Phys. Chem. B 2005, 109, 18949.
22. -3; for more details, see ref 10.
23. Case, D. A.; Darden, T. A.; Cheatham, T. E., III; Simmerling, C. L.; Wang, J.; Duke, R. E.; Luo, R.; Merz, K. M.; Wang, B.; Pearlman, D. A.; Crowley, M.; Brozell, S.; Tsui, V.; Gohlke, H.; Mongan, J.; Hornak, V.; Cui, G.; Beroza, P.; Schafmeister, C.; Caldwell, J. W.; Ross, W. S.; Kollman, P. A. AMBER 8; University of California: San Francisco, CA, 2004.
24. Impey, W.; Klein, M. L. Chem. Phys. Lett. 1984, 104, 579.
25. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98; Gaussian, Inc.: Pittsburgh, PA, 1998.
26. Hotop, H.; Lineberger, W. C. J. Phys. Chem. Ref. Data 1985, 14, 731.
27. Lias, S. G.; Bartmess, J. E.; Liebman, J. F.; Holmes, J. L.; Levin, R. D.; Mallard, W. G. J. Phys. Chem. Ref. Data 1988, 17 (Suppl. 1).
28. 1T.
29. int. The distances used for defining the regions correspond to the first minima of the radial distribution functions of the nitrogen atom in ammonia for each of the ions.
30. Hinchliffe, A.; Bounds, D. G.; Klein, M. L.; McDonald, I. R.; Righini, R. J. Chem. Phys. 1981, 74, 1211.