The motion of protons in water-ammonia clusters

Journal of Chemical Physics

Volumn 105, Issue 16, 1996, Pages 6844-6855

  Cheng, Hai Ping ^a  

^a UNIVERSITY OF FLORIDA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001327467     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.471979     Document Type: Article

References (74)

1. Proton Transfer Reaction, edited by E. Caldin and V. Gold (Chapman and Hall, London, 1975).
2. P. Mitchell, Nature (London) 191, 144 (1961);
3. 206, 1148 (1979).
4. A. T. Jagendorf, in Bioenergetics of Photosynthesis, edited by R. Govindjee (Academic, New York, 1975).
5. L. Stryer, Biochemistry (Freeman, San Francisco, 1981).
6. B. Honig, T. Eberey, R. H. Chandler, U. Dinur, and M. Ottolenghi, Proc. Natl. Acad. Sci. 76, 2503 (1979).
7. R. P. Bell, The Proton in Chemistry (Cornell University Press, Ithaca, NY, 1973).
8. The Hydrogen Bond: Recent Developments in Theory and Experiments, edited by P. Schuster, G. Zundel, and C. Sandorfy (Elsevier, New York, 1976).
9. M. Heininger, J. Lemaire, S. Fenistein, S. Jullien, and R. Marx, J. Chem. Phys. 101, 1923 (1994).
10. R. J. Saykally, J. Blake, and A. Geoffery, Science 259, 1570 (1993);
11. R. J. Saykally, Science 257, 1937 (1992).
12. R. J. Abraham, Introduction to NMR Spectroscopy (Wiley, Chichester, 1988);
13. D. Schulze, H. Ernst, and D. Fenzke, J. Phys. Chem. 94, 3499 (1990);
14. K. Schmidt-Rohr, D. Nanz, and L. Emsley, ibid. 98, 6668 (1994).
15. S. Hammes-Schiffer and J. C. Tully, J. Chem. Phys. 101, 4657 (1994).
16. S. Scheiner, Ace. Chem. Res. 18, 174 (1985);
17. S. Scheiner, J. Am. Chem. Soc. 103, 315 (1981);
18. K. Luth and S. Scheiner, J. Phys. Chem. 98, 3582 (1994).
19. I. Bhattacharya-Kodali and G. A. Voth, J. Phys. Chem. 97, 11 253 (1993);
20. D. Li and G. A. Voth, J. Phys. Chem. 95, 10425 (1991).
21. H. Azzouz and D. Borgis, J. Chem. Phys. 98, 7361 (1993);
22. P. Colomban, A. Gruger, A. Novak, and A. Regis, J. Mol. Struct. 317, 261 (1994);
23. N. Weller and G. Zundel, J. Mol. Struct. 317, 249 (1994).
24. R. J. Saykally, Science 239, 157 (1988);
25. J. G. Loeser, C. A. Schmuttenmaer, R. C. Cohen, M. J. Elrod, D. W. Steyert, R. J. Saykally, R. E. Bumgarner, and G. A. Blake, J. Chem. Phys. 97, 4729 (1992).
26. R. H. Page, M. F. Veron, Y. R. Shen, and Y. T. Lee, Chem. Phys. Lett. 141, 1 (1987).
27. J. W. I. van Bladel, A. van der Avoird, P. E. S. Wormer, and R. J. Saykally, J. Chem. Phys. 97 4756 (1992).
28. S. Wei, Z. Shi, and A. W. Castleman, Jr., J. Chem. Phys. 94, 3268 (1991);
29. X. Zhang and A. W. Castleman, Jr., J. Chem. Phys. 101, 1157 (1994), and references therein.
30. O. Echt, D. Kreisle, M. Knapp, and E. Recknagel, Chem. Phys. Lett. 108, 401 (1989);
31. T. Inoe and S. Kotake, J. Chem. Phys. 91, 162 (1989).
32. J. V. Coe and R. J. Saykally, in Ion and Cluster Ion Spectroscopy and Structure, edited by J. P. Maier (Elsevier, Amsterdam, 1989), p. 131;
33. R. J. Saykally, Ann. Res. Phys. Chem. 35, 387 (1984).
34. Physics and Chemistry of Finite Systems: From Clusters to Crystals, ed-ited by P. Jena, S. N. Khanna, and B. K. Rao, NATO ASI Series (Kluwer Academic, Dordrecht, 1993).
35. Clusters of Atoms and Molecules, edited by H. Haberland (Springer, Berlin, 1994);
36. J. Jortner, Z. Phys. D 24, 247 (1992);
37. Nature 318, 162 (1985);
38. R. F. Curl and R. E. Smalley, Science 242, 1017 (1988).
39. Review by U. Landman, R. N. Barnett, H.-P. Cheng, and C. L. Ludtke, in Computations for the Nano-Scale, edited by P. E. Blochl, C. Joahim, and A. J. Fisher (Kluwer, Dordrecht, 1993), p. 75.
40. L. Osage, Science 160, 1359 (1953).
41. A. Godzik, Chem. Phys. Lett. 171, 217 (1990);
42. J. R. Sabin and P. Milchell, Science 206, 148 (1979);
43. S. Fischer and G. L. Hofacker, Int. J. Quantum Chem. III, 257 (1969).
44. C. S. Guteman and R. J. Saykally, Ann. Res. Phys. Chem. 35, 387 (1984).
45. D. D. Nelson, G. T. Fraser, F. J. Lovas, and R. D. Suenram, J. Chem. Phys. 87, 6364 (1987);
46. D. D. Nelson, G. T. Fraser, and W. Klemperer, ibid. 83, 6201 (1985).
47. Y. Xie, R. B. Remington, and H. F. Schaefer, III, J. Chem. Phys. 101, 4878 (1994), and references therein.
48. H.-P. Cheng, R. N. Bamett, and U. Landman, Chem. Phys. Lett. 237, 161 (1995).
49. J. D. Cruzan, L. B. Braly, K. Liu, M. G. Brown, J. G. Loeser, and R. J. Saykally, Science 271, 59 (1996);
50. J-H. Choi, K. T. Kuwata, B-M. Hass, Y. Cao, M. S. Johnson, and M. Okumura, J. Chem. Phys. 100, 7153 (1994); also see X. Zhang and A. W. Castleman, Jr. in Ref. 18.
51. K. Honma, L. S. Sunderlin, and P. B. Armentrout, J. Chem. Phys. 99, 1623 (1993);
52. X. Yang, X. Zhang, and A. W. Castleman, Jr., Int. Mass Spectrosc. Ion Proc. 109, 339 (1991);
53. Z. Karpas, G. A. Eiceman, C. S. Harden, and R. G. Ewing, ibid. 133, 47 (1994).
54. J. A. Syage, J. Phys. Chem. 99, 5772 (1995);
55. J. Steadman and J. A. Syage, ibid. 95, 10 326 (1991).
56. K. Honma, L. S. Sunderlin, and P. B. Armentrout, J. Chem. Phys. 99, 1623 (1993);
57. K. Honma, L. S. Sunderlin, and P. B. Armentrout, Int. J. Mass Spectrosc. Ion Proc. 117, 237 (1992).
58. Z. Karpus, G. A. Eiceman, C. S. Harden, and R. G. Ewing, Am. Soc. Mass Spectrosc. 4, 507 (1993).
59. R. N. Barnett and U. Landman, Phys. Rev. B 48, 2081 (1993).
60. D. Salahub, CIC Seminar, Guelph, Ontario, Canada, May, 1995.
61. See D. G. Truhlar and M. S. Gordon, Science 249, 491 (1990), and references therein;
62. C. J. Cramer, and D. G. Truhlar, ibid. 256, 213 (1992).
63. S. C. Tucker and D. G. Truhlar, in New Theoretical Concepts for Understanding Organic Reactions, edited by J. Bertrán and I. G. Csizmadia (Kluwer, Dordrecht, 1989), p. 291;
64. B. C. Garrett, D. G. Truhlar, R. S. Grev, and A. W. Magnuson, J. Phys. Chem. 84, 1730 (1980).
65. M. P. Allen and D. J. Tildesley, in Computer Simulations of Simple Liquids (Oxford University Press, Oxford, 1987).
66. L. Verlet, Phys. Rev. 159, 98 (1967).
67. G. Galli and M. Parrinello, in Computer Simulations in Material Science, edited by M. Meyer and V. Pontikis (Kluwer, Dordrecht, 1991), p. 283.
68. R. P. Feyman, Phys. Rev. 56, 340 (1939).
69. (a) M. Tuckerman, K. Laasonen, and M. Sprik, J. Chem. Phys. 103, 150 (1995);
70. (b) J. Lobaugh and G. A. Voth, J. Chem. Phys. 104, 2056 (1996); presentation at Sanibel Syposium 1996;
71. (c) S. J. Singer, presentation at the American Physics Society March Meeting 1996, Vol. 41, p. 276.
72. Hai-P. Cheng et al. (in preparation).
73. K. Morrison, C. Schlubach, J. L. Krause, and H.-P. Cheng (in preparation).
74. A. J. Cunniham, J. D. Payzant, and P. Kebarle, J. Am. Chem. Soc. 94, 7267 (1972).