Emergence of charge-transfer-to-solvent band in the absorption spectra of hydrogen halides on ice nanoparticles: Spectroscopic evidence for acidic dissociation

Journal of Physical Chemistry A

Volumn 112, Issue 24, 2008, Pages 5344-5353

  Ončák, Milan ^a   Slavíček, Petr ^a,b   Poterya, Viktoriya ^b   Fárník, Michal ^b   Buck, Udo ^c  

^a INSTITUTE OF CHEMICAL TECHNOLOGY   (Czech Republic)

^b J HEYROVSKÝ INSTITUTE OF PHYSICAL CHEMISTRY   (Czech Republic)

^c MAX PLANCK INSTITUTE FOR DYNAMICS AND SELF ORGANIZATION   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; ABSORPTION SPECTROSCOPY; ACIDS; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ELECTROMAGNETIC WAVE ABSORPTION; ENERGY ABSORPTION; HYDROGEN; ICE; LIGHT ABSORPTION; MOLECULES; NANOPARTICLES; NANOSTRUCTURED MATERIALS; NANOSTRUCTURES; NONMETALS; PHOTODISSOCIATION; REFLECTION; SOLVENTS; SPECTRUM ANALYSIS; WATER ABSORPTION;

AB-INITIO CALCULATIONS; ACIDIC DISSOCIATION; CHARGE-TRANSFER-TO-SOLVENT; ELECTRONIC ABSORPTION SPECTRUM; HYDROGEN BROMIDE; HYDROGEN CHLORIDE; HYDROGEN FLUORIDES; HYDROGEN HALIDES; ORDERS-OF-MAGNITUDE; PHOTO ACTIVE; REFLECTION PRINCIPLE; SPECTROSCOPIC EVIDENCES; TIME-DEPENDENT DENSITY; WATER CLUSTERS; WATER MOLECULES;

PHOTOLYSIS;

EID: 48949120849     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp8012305     Document Type: Article

References (71)

1. Finlayson-Pitts, B. J.; Pitts, J. N., Jr. Chemistry of the Upper and Lower Atmosphere; Academic Press: San Diego, 2000.
2. Peter, T. Annu. Rev. Phys. Chem. 1997, 48, 785.
3. Molina, M. J.; Tso, T. L.; Molina, L. T.; Wang, F. C. Y. Science 1987, 238, 1253.
4. Huthwelker, T.; Ammann, M.; Peter, T. Chem. Rev. 2006, 106, 1375.
5. McNeill, V. F.; Geiger, F. M.; Loerting, T.; Trout, B. L.; Molina, L. T.; Molina, M. J. J. Phys. Chem. A 2007, 111, 6274.
6. Buch, V.; Sadlej, J.; Aytemiz-Uras, N.; Devlin, J. P. J. Phys. Chem. A 2002, 106, 9374.
7. Devlin, J. P.; Uras, N.; Sadlej, J.; Buch, V. Nature 2002, 417, 269.
8. Devlin, J. P.; Fárník, M.; Suhm, M. A.; Buch, V. J. Phys. Chem. A 2005, 109, 955.
9. Voegele, A. F.; Liedl, K. R. Angew. Chem., Int. Ed. 2003, 42, 2114.
10. Hurley, S. M.; Dermota, T. E.; Hydutsky, D. P.; Castleman, A. W. Science 2002, 298, 202.
11. Ayotte, P.; Hebert, M.; Marchand, P. J. Chem. Phys. 2005, 123, 184501.
12. Kang, H.; Shin, T. H.; Park, S. C.; Kim, I. K.; Han, S. J. J. Am. Chem Soc. 2000, 122, 9842.
13. Park, S. C.; Kang, H. J. Phys. Chem. B 2805, 109, 5124.
14. Parent, P.; Laffon, C. J. Phys. Chem. B 2005, 109, 1547.
15. Kondo, M.; Kawanowa, H.; Gotoh, Y.; Souda, R. J. Chem. Phys. 2004, 121, 8589.
16. Yabushita, A.; Kanda, D.; Kawanaka, N.; Kawasaki, M. J. Chem. Phys. 2007, 127, 154721.
17. Al-Halabi, A.; Bianco, R.; Hynes, J. T. J. Phys. Chem. A 2002, 106, 7639.
18. Re, S.; Osamura, Y.; Suzuki, Y.; Schaefer, H. F. J. Chem. Phys. 1998, 109, 973.
19. Conley, C.; Tao, F. M. Chem Phys. Lett. 1999, 301, 29.
20. Cabaleiro-Lago, E. M.; Hermida-Ramon, J. M.; Rodriguez-Otero, J. J. Chem. Phys. 2002, 117, 3160.
21. Weimann, M.; Fárník, M.; Suhm, M. A. Phys. Chem. Chem. Phys. 2002, 4, 3933.
22. Fárník, M.; Weimann, M.; Suhm, M. A. J. Chem. Phys. 2003, 118, 10120.
23. Kuo, J. L.; Klein, M. L. J. Chem. Phys. 2004, 120, 4690.
24. Odde, S.; Mhin, B. J.; Lee, S.; Lee, H. M.; Kim, K. S. J. Chem. Phys. 2004, 120, 9524.
25. Goursot, A.; Fischer, G.; Lovallo, C. C.; Salahub, D. R. Theor. Chem Acc. 2005, 114, 115.
26. Masia, M.; Forbert, H.; Marx, D. J. Phys. Chem A 2007, 111, 12181.
27. Ndongmouo, U. F. T.; Lee, M. S.; Rousseau, R.; Baletto, F.; Scandolo, S. J. Phys. Chem. A 2007, 111, 12810.
28. Buch, V.; Bauerecker, S.; Devlin, J. P.; Buck, U.; Kazimirski, J. K. Int. Rev. Phys. Chem. 2004, 23, 375.
29. Slavíček, P.; Jungwirth, P.; Lewerenz, M.; Nahler, N. H.; Fárník, M.; Buck, U. J. Phys. Chem. A 2003, 107, 7743.
30. Woittequand, S.; Toubin, C.; Pouilly, B.; Monnerville, M.; Briquez, S.; Meyer, H. D. Chem. Phys. Lett. 2005, 406, 202.
31. Woittequand, S.; Duflot, D.; Monnerville, M.; Pouilly, B.; Toubin, C.; Briquez, S.; Meyer, H. D. J. Chem. Phys. 2007, 127, 164717.
32. Hurley, S. M.; Dermota, T. E.; Hydutsky, D. P.; Castleman, A. W. J. Chem Phys. 2003, 118, 9272.
33. Dermota, T. E.; Hydutsky, D. P.; Bianco, N. J.; Castleman, A. W. J. Chem. Phys. 2005, 123, 214308.
34. Sobolewski, A. L.; Domcke, W. J. Phys. Chem. A 2003, 107, 1557.
35. Sobolewski, A. L.; Domcke, W. Phys. Chem. Chem. Phys. 2005, 7, 970.
36. Sobolewski, A. L.; Domcke, W. J. Phys. Chem. A 2007, 111, 11725.
37. Poterya, V.; Fárník, M.; Slavíček, P.; Buck, U.; Kresin, V. V. J. Chem. Phys. 2007, 126, 071101.
38. Harvey, J. N.; Jung, J. O.; Gerber, R. B. J. Chem. Phys. 1998, 109, 8747.
39. Bursulaya, B. D.; Jeon, J.; Yang, C. N.; Kim, H. J. J. Phys. Chem. A 2000, 104, 45.
40. Miller, Y.; Fredj, E.; Harvey, J. N.; Gerber, R. B. J. Phys. Chem. A 2004, 108, 4405.
41. Chipman, D. M. J. Chem. Phys. 2005, 122, 044111.
42. Sobolewski, A. L.; Domcke, W. J. Chem. Phys. 2005, 122, 184320.
43. Garbuio, V.; Cascella, M.; Reining, L.; Del Sole, R.; Pulci, O. Phys. Rev. Lett. 2006, 97, 137402.
44. do Couto, P. C.; Cabral, B. J. C. J. Chem. Phys. 2007, 126, 014509.
45. Yabushita, A.; Hashikawa, Y.; Ikeda, A.; Kawasaki, M.; Tachikawa, H. J. Chem. Phys. 2004, 120, 5463.
46. Andersson, S.; Kroes, G. J.; van Dishoeck, E. F. Chem. Phys. Lett. 2005, 408, 415.
47. Andersson, S.; Al-Halabi, A.; Kroes, G. J.; van Dishoeck, E. F. J. Chem. Phys. 2006, 124, 064715.
48. Yabushita, A.; Kanda, D.; Kawanaka, N.; Kawasaki, M.; Ashfold, M. N. R. J. Chem. Phys. 2006, 125, 133406.
49. Slavíček, P.; Jungwirth, P.; Lewerenz, M.; Nahler, N. H.; Fárník, M.; Buck, U. J. Chem Phys. 2004, 120, 4498.
50. Fárník, M.; Nahler, N. H.; Buck, U.; Slavíč ek, P.; Jungwirth, P. Chem. Phys. 2005, 315, 161.
51. Bergner, A.; Dolg, M.; Kuchle, W.; Stoll, H.; Preuss, H. Mol. Phys. 1993, 80, 1431.
52. Magyar, R. J.; Tretiak, S. J. Chem. Theory Comput. 2007, 3, 976.
53. Zhao, Y.; Gonzalez-Garcia, N.; Truhlar, D. G. J. Phys. Chem. A 2005, 109, 2012.
54. Werner, H.-J. et.al, MOLPRO, version 2006.1, a package of ab initio programs, 2006., see http://www.molpro.net.
55. Frisch, M. J.; et. al. Gaussian 03, revision 0.02; Gaussian, Inc.: Wallingford, CT, 2004.
56. Prakash, M. K.; Weibel, J. D.; Marcus, R. A. J. Geophys. Res. 2005, 110, D21315.
57. Grage, M. M. L.; Nyman, G.; Johnson, M. S. Phys. Chem. Chem. Phys. 2006, 8, 4798.
58. Della Sala, F.; Rousseau, R.; Gorling, A.; Marx, D. Phys. Rev. Lett. 2004, 92, 183401.
59. Buck, U. J. Phys. Chem. A 2002, 106, 10049.
60. Bobbert, C.; Schütte, S.; Steinbach, C.; Buck, U. Europ. Phys. J. D 2002, 19, 183.
61. Brudermann, J.; Buck, U.; Buch, V. J. Phys. Chem. A 2002, 106, 453.
62. Baumfalk, R.; Buck, U.; Frischkorn, C.; Nahler, N. H.; Hüwel, L. J. Chem. Phys. 1999, 111, 2595.
63. Liu, K.; Brown, M. G.; Carter, C.; Saykally, R. J.; Gregory, J. K.; Clary, D. C. Nature 1996, 381, 501.
64. Slavíček, P.; Roeselová, M.; Jungwirth, P.; Schmidt, B. J. Chem. Phys. 2001, 114, 1539.
65. Kawasaki, M.; Sugita, A.; Ramos, C.; Matsumi, Y.; Tachikawa, H. J. Phys. Chem. A 2004, 108, 8119.
66. Mota, R.; Parafita, R.; Giuliani, A.; Hubin-Franskin, M. J.; Lourenço, J. M. C.; Garcia, G.; Hoffmann, S. V.; Mason, N. J.; Ribeiro, P. A.; Raposo, M.; Limao-Vieira, P. Chem. Phys. Lett. 2005, 416, 152.
67. Heller, J. M.; Hamm, R. N.; Birkhoff, R. D.; Painter, L. R. J. Chem. Phys. 1974, 60, 3483.
68. Kobayashi, K. J. Phys. Chem. 1983, 87, 4317.
69. Nee, J. B.; Suto, M.; Lee, L. C. J. Chem. Phys. 1986, 85, 4919.
70. Cheng, B. M.; Chung, C. Y.; Bahou, M.; Lee, Y. P.; Lee, L. C. J. Chem. Phys. 2002, 117, 4293.
71. DeMore, W. B.; Sander, S. P.; Golden, D. M.; Hampson, R. F.; Kurylo, M. J.; Howard, C. J.; Ravishankara, A. R.; Kolb, C. E.; Molina, M. J. Chemical Kinetics and Photochemical Data for Use in Stratospheric Modeling; JPL Publication 97-4; Jet Propulsion Laboratory: Pasadena, CA, 1997.