Structure and energetics of ionized water clusters: (H2O)n+, n = 2-5

Journal of Physical Chemistry A

Volumn 101, Issue 2, 1997, Pages 164-169

  Barnett, R N ^a   Landman, Uzi ^a  

^a GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION METHODS; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; HYDRAZINE; HYDROGEN BONDS; IONIZATION; IONS; MOLECULES;

LOCAL SPIN DENSITY FUNCTIONAL ELECTRONIC STRUCTURE CALCULATIONS; WATER CLUSTERS;

WATER;

EID: 0031560521     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp962761n     Document Type: Article

References (48)

1. For recent reviews see: (a) Liu, K.; Cuzan, J. D.; Saykally, R. J. Science 1996, 271, 877. (b) Castleman, A. W., Jr.; Bowen, K. H., Jr. J. Phys. Chem. 1996, 100, 12911. (c) Buck, U. In Clusters of Atoms and Molecules; Haberland, H., Ed.; Springer Series in Chemical Physics 52; Springer: Berlin, 1994; p 396.
2. For recent reviews see: (a) Liu, K.; Cuzan, J. D.; Saykally, R. J. Science 1996, 271, 877. (b) Castleman, A. W., Jr.; Bowen, K. H., Jr. J. Phys. Chem. 1996, 100, 12911. (c) Buck, U. In Clusters of Atoms and Molecules; Haberland, H., Ed.; Springer Series in Chemical Physics 52; Springer: Berlin, 1994; p 396.
3. For recent reviews see: (a) Liu, K.; Cuzan, J. D.; Saykally, R. J. Science 1996, 271, 877. (b) Castleman, A. W., Jr.; Bowen, K. H., Jr. J. Phys. Chem. 1996, 100, 12911. (c) Buck, U. In Clusters of Atoms and Molecules; Haberland, H., Ed.; Springer Series in Chemical Physics 52; Springer: Berlin, 1994; p 396.
4. (a) Haberland, H.; Bowen, K. H. In Clusters of Atoms and Molecules; Haberland, H., Ed.; Springer Series in Chemical Physics 56; Springer: Berlin, 1994; p 134.
5. (b) Barnett, R. N.; Cleveland, C. L.; Landman, U.; Jortner, J. J. Chem. Phys. 1988, 88, 4421, 4429.
6. Kaukonen, H.-P.; Barnett, R. N.; Landman, U. J. Chem. Phys. 1992, 97, 1365.
7. Klots, C. E.; Compton, R. N. J. Chem. Phys.1978, 69, 1644.
8. Haberland, H.; Langosch, H. Z. Phys. D. 1986, 2, 243.
9. Shinohara, H.; Nishi, N.; Washida, N. J. Chem. Phys. 1986, 84, 5561.
10. Ng, C. Y.; Trevor, D. J.; Tiedemann, P. W.; Ceyer, S. T.; Kronebusch, P. L.; Mahan, B. H.; Lee, Y. T. J. Chem. Phys. 1977, 67, 4235.
11. deVisser, S. P.; deKoning, L. J.; Nibbering, N. M. H. J. Phys. Chem. 1995, 99, 15444.
12. (a) See review by Mark, T. D.; Echt, O.; in ref 2a, p 154. (b) Castleman, A. W., Jr. in ref 2a, p 77. (c) Crofton, M. W.; Price, J. M.; Lee, Y. T.; in ref 2a, p 44.
13. (a) See review by Mark, T. D.; Echt, O.; in ref 2a, p 154. (b) Castleman, A. W., Jr. in ref 2a, p 77. (c) Crofton, M. W.; Price, J. M.; Lee, Y. T.; in ref 2a, p 44.
14. (a) See review by Mark, T. D.; Echt, O.; in ref 2a, p 154. (b) Castleman, A. W., Jr. in ref 2a, p 77. (c) Crofton, M. W.; Price, J. M.; Lee, Y. T.; in ref 2a, p 44.
15. Stace, A. J. Phys. Rev. Lett. 1988, 61, 306; Chem. Phys. Lett. 1990, 174, 103.
16. Stace, A. J. Phys. Rev. Lett. 1988, 61, 306; Chem. Phys. Lett. 1990, 174, 103.
17. Buck, U.; Winter, M. Z. Phys. D. 1994, 31, 291.
18. Barnett, R. N.; Landman, U. J. Phys. Chem. 1995, 99, 17305.
19. See: Schulz, C. P.; Hertel, J. V.; in ref 2a, p 7.
20. Barnett, R. N.; Landman, U. Phys. Rev. Lett. 1993, 70, 1775, and references therein.
21. Barnett, R. N.; Cheng, H.-P.; Hakkinen, H.; Landman, U. J. Phys. Chem. 1995, 99, 1995, and references therein.
22. See refs 3-12 cited in ref 12.
23. Good, A.; Durden, D. A.; Kebrale, P. J. J. Chem. Phys. 1970, 52, 212, 222.
24. Tomoda, S.; Achiba, Y.; Kimura, K. Chem. Phys. Lett. 1982, 187, 197.
25. Fehsenfeld, F. C.; Mosesmann, M.; Ferguson, E. F. J. Chem. Phys. 1971, 55, 2115.
26. Kerbrale, P.; Godhole, E. W. J. Chem. Phys. 1963, 39, 1131.
27. Bailey, A. D.; Narcisi, R. S. J. Geophys. Res. 1965, 70, 3687.
28. Wei, S.; Shi, Z.; Castleman, A. W., Jr. J. Chem. Phys. 1991, 94, 3266.
29. See ref 12 and citations to earlier work therein.
30. Gill, P. M. W.; Radom, L. J. Am. Chem. Soc. 1988, 110, 4931.
31. Tomoda, S.; Kimura, K. Chem. Phys. 1983, 82, 215.
32. -1.
33. Barnett, R. N.; Landman, U. Phys. Rev. B 1993, 70, 1775.
34. Troullier, N.; Martins, J. L. Phys. Rev. B 1991, 43, 1993.
35. Becke, A. D. Phys. Rev. A 1988, 38, 3098; J. Chem. Phys. 1992, 96, 2155.
36. Becke, A. D. Phys. Rev. A 1988, 38, 3098; J. Chem. Phys. 1992, 96, 2155.
37. Perdew, J. P.; Wang, Y. Phys. Rev. B 1991, 44, 13298; 1991, 43, 8911; 1992, 49, 13244.
38. Perdew, J. P.; Wang, Y. Phys. Rev. B 1991, 44, 13298; 1991, 43, 8911; 1992, 49, 13244.
39. Perdew, J. P.; Wang, Y. Phys. Rev. B 1991, 44, 13298; 1991, 43, 8911; 1992, 49, 13244.
40. For the dimer see: Dyke, T. R.; Mack, K. M., Muenter, J. S. J. Chem. Phys. 1977, 66, 498; Ibid. 1977, 66, 492. Pugliano, N.; Cruzan, J. D.; Loeser, J. G.; Saykally, R. J. J. Chem. Phys. 1993, 98, 6600.
41. For the dimer see: Dyke, T. R.; Mack, K. M., Muenter, J. S. J. Chem. Phys. 1977, 66, 498; Ibid. 1977, 66, 492. Pugliano, N.; Cruzan, J. D.; Loeser, J. G.; Saykally, R. J. J. Chem. Phys. 1993, 98, 6600.
42. For the dimer see: Dyke, T. R.; Mack, K. M., Muenter, J. S. J. Chem. Phys. 1977, 66, 498; Ibid. 1977, 66, 492. Pugliano, N.; Cruzan, J. D.; Loeser, J. G.; Saykally, R. J. J. Chem. Phys. 1993, 98, 6600.
43. For the trimer see: Pugliano, N.; Saykally, R. J. Science 1992, 257, 1937; Liu K.; et al. J. Am. Chem. Soc. 1994, 116, 3507. Liu, K.; et al. Faraday Discuss. 1994, 97, 35.
44. For the trimer see: Pugliano, N.; Saykally, R. J. Science 1992, 257, 1937; Liu K.; et al. J. Am. Chem. Soc. 1994, 116, 3507. Liu, K.; et al. Faraday Discuss. 1994, 97, 35.
45. For the trimer see: Pugliano, N.; Saykally, R. J. Science 1992, 257, 1937; Liu K.; et al. J. Am. Chem. Soc. 1994, 116, 3507. Liu, K.; et al. Faraday Discuss. 1994, 97, 35.
46. For the tetramer see: Cruzan, J. D.; Braly, J. B.; Kun, L.; Brown, M. G.; Loeser, J. D.; Saykally, R. J. Science 1996, 271, 59.
47. For the pentamer see: Liu, K.; Brown, M. G.; Cruzan, J. D.; Saykally, R. J. Science 1996, 271, 62.
48. Laasonen, K.; Parrinello, M.; Car, R.; Lee, C.; Vanderbilt, K. Chem. Phys. Lett. 1993, 207, 208.