The water dipole moment in water clusters

Science

Volumn 275, Issue 5301, 1997, Pages 814-817

  Gregory, J K ^a   Clary, D C ^b   Liu, K ^c   Brown, M G ^c   Saykally, R J ^c  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b UNIVERSITY COLLEGE LONDON   (United Kingdom)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

WATER;

ARTICLE; DIPOLE; ELECTRIC FIELD; MOLECULAR INTERACTION; PRIORITY JOURNAL; STRUCTURE ANALYSIS;

EID: 0031028733     PISSN: 00368075     EISSN: None     Source Type: Journal    
DOI: 10.1126/science.275.5301.814     Document Type: Article

References (47)

1. N. Pugliano and R. J. Saykally, J. Chem. Phys. 96, 1832 (1992); Science 257, 1937 (1992); J. D. Cruzan et al., ibid. 271, 59 (1996); K. Liu, M. G. Brown, J. D. Cruzan, R. J. Saykally, ibid., p. 62.
2. N. Pugliano and R. J. Saykally, J. Chem. Phys. 96, 1832 (1992); Science 257, 1937 (1992); J. D. Cruzan et al., ibid. 271, 59 (1996); K. Liu, M. G. Brown, J. D. Cruzan, R. J. Saykally, ibid., p. 62.
3. N. Pugliano and R. J. Saykally, J. Chem. Phys. 96, 1832 (1992); Science 257, 1937 (1992); J. D. Cruzan et al., ibid. 271, 59 (1996); K. Liu, M. G. Brown, J. D. Cruzan, R. J. Saykally, ibid., p. 62.
4. N. Pugliano and R. J. Saykally, J. Chem. Phys. 96, 1832 (1992); Science 257, 1937 (1992); J. D. Cruzan et al., ibid. 271, 59 (1996); K. Liu, M. G. Brown, J. D. Cruzan, R. J. Saykally, ibid., p. 62.
5. K. S. Kim, M. Dupuis, G. C. Lie, E. Clementi, Chem. Phys. Lett. 131, 451 (1986); C. J. Tsai and K. D. Jordan, ibid. 213, 181 (1993) ; M. Schütz, T. Bürgi, S. Leutwyler, H. B. Bürgi, J. Chem. Phys. 99, 5228 (1993).
6. K. S. Kim, M. Dupuis, G. C. Lie, E. Clementi, Chem. Phys. Lett. 131, 451 (1986); C. J. Tsai and K. D. Jordan, ibid. 213, 181 (1993) ; M. Schütz, T. Bürgi, S. Leutwyler, H. B. Bürgi, J. Chem. Phys. 99, 5228 (1993).
7. K. S. Kim, M. Dupuis, G. C. Lie, E. Clementi, Chem. Phys. Lett. 131, 451 (1986); C. J. Tsai and K. D. Jordan, ibid. 213, 181 (1993) ; M. Schütz, T. Bürgi, S. Leutwyler, H. B. Bürgi, J. Chem. Phys. 99, 5228 (1993).
8. S. S. Xantheas and T. H. Dunning, J. Chem. Phys. 99, 8774 (1993); S. S. Xantheas, ibid. 100, 7523 (1994); ibid. 102, 4505 (1995).
9. S. S. Xantheas and T. H. Dunning, J. Chem. Phys. 99, 8774 (1993); S. S. Xantheas, ibid. 100, 7523 (1994); ibid. 102, 4505 (1995).
10. S. S. Xantheas and T. H. Dunning, J. Chem. Phys. 99, 8774 (1993); S. S. Xantheas, ibid. 100, 7523 (1994); ibid. 102, 4505 (1995).
11. J. K. Gregory and D. C. Clary, ibid. 102, 7817 (1995); ibid. 103, 8924 (1996); ibid. 105, 6626 (1996).
12. J. K. Gregory and D. C. Clary, ibid. 102, 7817 (1995); ibid. 103, 8924 (1996); ibid. 105, 6626 (1996).
13. J. K. Gregory and D. C. Clary, ibid. 102, 7817 (1995); ibid. 103, 8924 (1996); ibid. 105, 6626 (1996).
14. I. Ohimine, J. Phys. Chem. 99, 6767 (1995).
15. K. Liu, J. D. Cruzan, R. J. Saykally, Science 271, 929 (1996).
16. J. E. Del Bene and J. A. Pople, J. Chem. Phys. 52, 4858 (1970); A. Rahman and F. H. Stillinger, J. Am. Chem. Soc. 95, 7943 (1973); R. J. Speedy, J. D. Madura, W. L. Jorgensen, J. Phys. Chem. 91, 909 (1987); G. Corongiu and E. Clementi, J. Chem. Phys. 98, 2241 (1993).
17. J. E. Del Bene and J. A. Pople, J. Chem. Phys. 52, 4858 (1970); A. Rahman and F. H. Stillinger, J. Am. Chem. Soc. 95, 7943 (1973); R. J. Speedy, J. D. Madura, W. L. Jorgensen, J. Phys. Chem. 91, 909 (1987); G. Corongiu and E. Clementi, J. Chem. Phys. 98, 2241 (1993).
18. J. E. Del Bene and J. A. Pople, J. Chem. Phys. 52, 4858 (1970); A. Rahman and F. H. Stillinger, J. Am. Chem. Soc. 95, 7943 (1973); R. J. Speedy, J. D. Madura, W. L. Jorgensen, J. Phys. Chem. 91, 909 (1987); G. Corongiu and E. Clementi, J. Chem. Phys. 98, 2241 (1993).
19. J. E. Del Bene and J. A. Pople, J. Chem. Phys. 52, 4858 (1970); A. Rahman and F. H. Stillinger, J. Am. Chem. Soc. 95, 7943 (1973); R. J. Speedy, J. D. Madura, W. L. Jorgensen, J. Phys. Chem. 91, 909 (1987); G. Corongiu and E. Clementi, J. Chem. Phys. 98, 2241 (1993).
20. F. J. Lovas, J. Phys. Chem. Ref. Data 7, 1445 (1978).
21. C. A. Coulson and D. Eisenburg, Proc. R. Soc. London Ser. A 291, 454 (1966).
22. D. J. Adams, Nature 293, 447 (1981); M. I. Heggie, C. D. Latham, S. C. P. Maynard, R. Jones, Chem. Phys. Lett. 249, 485 (1996) ; D. Wei and D. R. Salahub, ibid. 224, 291 (1994).
23. D. J. Adams, Nature 293, 447 (1981); M. I. Heggie, C. D. Latham, S. C. P. Maynard, R. Jones, Chem. Phys. Lett. 249, 485 (1996) ; D. Wei and D. R. Salahub, ibid. 224, 291 (1994).
24. D. J. Adams, Nature 293, 447 (1981); M. I. Heggie, C. D. Latham, S. C. P. Maynard, R. Jones, Chem. Phys. Lett. 249, 485 (1996) ; D. Wei and D. R. Salahub, ibid. 224, 291 (1994).
25. J. Caldwell, X. D. Liem, P. A. Kollman, J. Am. Chem. Soc. 112, 9144 (1990); M. Sprik, J. Chem. Phys. 95, 6762 (1991).
26. J. Caldwell, X. D. Liem, P. A. Kollman, J. Am. Chem. Soc. 112, 9144 (1990); M. Sprik, J. Chem. Phys. 95, 6762 (1991).
27. K. Laasonen, M. Sprik, M. Parrinello, R. Car, J. Chem. Phys. 99, 9080 (1993).
28. I. Tuñón, M. T. Martins-Costa, C. Millot, M. F. Ruiz-Löpez, J. Mol. Model. 1, 196 (1996).
29. R. D. Amos, CADPAC: Cambridge Analytical Derivatives Package (University of Cambridge Cambridge, 1992), version 5.
30. A. J. Stone, Chem. Phys. Lett. 83, 233 (1981); _ and M. Alderton, Mol. Phys. 56, 1047 (1985).
31. A. J. Stone, Chem. Phys. Lett. 83, 233 (1981); _ and M. Alderton, Mol. Phys. 56, 1047 (1985).
32. R. A. Kendall Jr., T. H. Dunning, R. J. Harrison, J. Chem. Phys. 96, 6796 (1992).
33. C. Möller and M. S. Plesset, Phys. Rev. 46, 618 (1934).
34. K. Kim and K. D. Jordan, J. Phys. Chem. 98, 10089 (1994).
35. T. R. Dyke, K. M. Mack, J. S. Muenter, J. Chem. Phys. 66, 498 (1977).
36. K. Liu, et al., Nature 381, 501 (1996).
37. K. Kim, K. D. Jordan, T. S. Zwier, J. Am. Chem. Soc. 116, 11568 (1994).
38. R. J. Saykally and G. A. Blake, Science 259, 1570 (1993).
39. G. A. Blake et al., Rev. Sci. Instrum. 62, 1701 (1991); K. Liu et al., ibid. 67, 410 (1996). The Stark field was applied either between the nozzle and an electroformed metal screen in front of the molecular jet or to a pair of parallel hand-polished Al plates aligned horizontally to be parallel to the planar supersonic expansion, allowing ΔM = 0 or ΔM = ± 1 type of transitions to occur, respectively. The tunable terahertz laser radiation was polarized in the horizontal plane.
40. G. A. Blake et al., Rev. Sci. Instrum. 62, 1701 (1991); K. Liu et al., ibid. 67, 410 (1996). The Stark field was applied either between the nozzle and an electroformed metal screen in front of the molecular jet or to a pair of parallel hand-polished Al plates aligned horizontally to be parallel to the planar supersonic expansion, allowing ΔM = 0 or ΔM = ± 1 type of transitions to occur, respectively. The tunable terahertz laser radiation was polarized in the horizontal plane.
41. H. Linnartz, A. Kips, W. L. Meerts, M. Havenith, J. Chem. Phys. 99, 2449 (1993).
42. W. F. Murphy, ibid. 67, 5877 (1977).
43. J. Verhoeven and A. Dymanus, ibid. 52, 3222 (1970).
44. K. Liu, M. G. Brown, M. R. Viant, J. D. Cruzan, R. J. Saykally, Mol. Phys. 89, 1373 (1996).
45. S. W. Peterson and H. A. Levy, Acta Crystallogr. 10, 70 (1957).
46. D. Eisenberg and W. Kauzmann, The Structure and Properties of Water (Oxford Univ. Press, New York, 1969).
47. The Berkeley authors (K.L., M.G.B., and R.J.S.) were supported by the NSF Experimental Physical Chemistry Program (CHE-9424482). The work in London and Cambridge was supported by the Engineering and Physical Sciences Research Council.