The infrared spectroscopy of hydrogen-bonded bridges: 2-pyridone-(water)n and 2-hydroxypyridine-(water)n clusters, n=1,2

Journal of Chemical Physics

Volumn 113, Issue 24, 2000, Pages 11143-11153

  Florio, Gina M ^a   Gruenloh, Christopher J ^a   Quimpo, Robert C ^a   Zwier, Timothy S ^a  

^a PURDUE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN BONDS; INFRARED SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; ULTRAVIOLET SPECTROSCOPY; WATER;

HYDROXYPYRIDINES; PYRIDONES;

QUANTUM THEORY;

EID: 0034511483     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (63)

1. A. R. Katritzky and J. M. Lagowski, Advances in Heterocyclic Chemistry (Academic, New York, 1963), Vol. 1, p. 347.
2. J. S. Kwatkowski, T. J. Zielinski, and R. Rein, Adv. Quantum Chem. 18, 19 (1986).
3. P. Beak, Acc. Chem. Res. 10, 186 (1977).
4. G. A. Jeffrey and W. Saenger, Hydrogen Bonding in Biological Structures (Springer-Verlag, New York, 1991).
5. L. D. Hatherley, R. D. Brown, P. D. Godfrey, A. P. Pierlot, W. Caminati, D. Damiani, S. Melandri, and L. B. Favero, J. Phys. Chem. 97, 46 (1993).
6. M. J. Nowak, L. Lapinski, J. Fulara, A. Les, and L. Adamowicz, J. Phys. Chem. 96, 1562 (1992).
7. M. Moreno and W. H. Miller, Chem. Phys. Lett. 171, 475 (1990).
8. V. Barone and C. Adamo, J. Phys. Chem. 99, 15062 (1995).
9. O. Bensaude, M. Chevrier, and J.-E. Dubois, J. Am. Chem. Soc. 101, 2423 (1979).
10. M. J. Field and I. H. Hillier, J. Chem. Soc., Perkin Trans. 2 5, 617 (1987).
11. R. Trembreull, C. H. Sin, H. M. Pang, and D. M. Lubman, Anal. Chem. 57, 2911 (1985).
12. M. R. Nimlos, D. F. Kelley, and E. R. Bernstein, J. Phys. Chem. 93, 643 (1989).
13. A. Held and D. W. Pratt, J. Am. Chem. Soc. 115, 9708 (1993).
14. Y. Matsuda, T. Ebata, and N. Mikami, J. Chem. Phys. 110, 8397 (1999).
15. S. Leutwyler (private communication).
16. A. Bach and S. Leutwyler, Chem. Phys. Lett. 299, 381 (1999).
17. J. A. Dickinson, M. R. Hockridge, E. G. Robertson, and J. P. Simons, J. Phys. Chem. A 103, 6938 (1999).
18. S. Mente and M. Maroncelli, J. Phys. Chem. A 102, 3860 (1998).
19. R. H. Page, Y. R. Shen, and Y. T. Lee, J. Chem. Phys. 88, 5362 (1988).
20. T. S. Zwier, Annu. Rev. Phys. Chem. 47, 205 (1996).
21. T. Ebata, A. Fujii, and N. Mikami, Int. Rev. Phys. Chem. 17, 331 (1998).
22. P. Imhof, W. Roth, C. Janzen, D. Spangenberg, and K. Kleinermanns, Chem. Phys. 242, 141 (1999).
23. P. M. Palmer, Y. Chen, and M. R. Topp, Chem. Phys. Lett. 318, 440 (2000).
24. K. Buchhold, B. Reimann, S. Djafari, H. D. Barth, B. Brutschy, P. Tarakeshwar, and K. S. Kim, J. Chem. Phys. 112, 1844 (2000).
25. R. K. Frost, F. C. Hagemeister, C. A. Arrington, and T. S. Zwier, J. Chem. Phys. 105, 2595 (1996).
26. A. D. Becke, J. Chem. Phys. 98, 5648 (1993).
27. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988).
28. M. J. Frisch, J. A. Pople, and J. S. Binkley, J. Chem. Phys. 80, 3265 (1984).
29. GAUSSIAN 98, M. J. T. Frisch, G. W. Schlegel, H. B. Scuseria et al., Gaussian, Inc., Pittsburgh, PA, 1998.
30. J. R. Carney and T. S. Zwier, J. Phys. Chem. A 103, 9943 (1999).
31. H. Ozeki, M. C. R. Cockett, K. Okuyama, M. Takahashi, and K. Kimura, J. Phys. Chem. 99, 8608 (1995).
32. G. Reiser, O. Dopfer, R. Lindner, G. Henri, K. Muller-Dethlefs, E. W. Schlag, and S. D. Colson, Chem. Phys. Lett. 181, 1 (1991).
33. 2 is also included. This document may be retrieved via the EPAPS home page (http://www.aip.org/pubservs/epaps.html) or from ftp.aip.org in the directory /epaps/. See the EPAPS homepage for more information.
34. A. Lledos and J. Bertran, J. Mol. Struct. 120, 73 (1985).
35. J. E. DelBene, J. Phys. Chem. 98, 5902 (1994).
36. T. R. Dyke and J. S. Muenter, J. Chem. Phys. 60, 2929 (1974).
37. F. Franks, in Water: A Comprehensive Treatise, edited by F. Franks (Plenum, New York, 1972), Vol. 1, p. 115.
38. M. R. Viant, J. D. Cruzan, D. D. Lucas, M. G. Brown, K. Liu, and R. J. Saykally, J. Phys. Chem. A 101, 9032 (1997).
39. M. Schütz, W. Klopper, H. P. Luthi, and S. Leutwyler, J. Chem. Phys. 103, 6114 (1996).
40. R. N. Pribble and T. S. Zwier, Science 265, 75 (1994).
41. R. N. Pribble and T. S. Zwier, Faraday Discuss. 97, 229 (1994).
42. S. Fredericks, K. D. Jordan, and T. S. Zwier, J. Phys. Chem. 100, 7810 (1996).
43. J. R. Carney, F. C. Hagemeister, and T. S. Zwier, J. Chem. Phys. 108, 3379 (1998).
44. J. R. Carney, T. S. Zwier, A. Fedorov, and J. R. Cable (unpublished results).
45. E. G. Robertson, Chem. Phys. Lett. 325, 299 (2000).
46. A. V. Fedorov and J. R. Cable, J. Phys. Chem. A 104, 4943 (2000).
47. B. H. Pate, J. Chem. Phys. 110, 1990 (1999).
48. D. A. McWhorter, E. Hudspeth, and B. H. Pate, J. Chem. Phys. 110, 2000 (1999).
49. J. R. Carney, T. S. Zwier, A. V. Fedorov, and J. R. Cable (unpublished).
50. G. C. Pimentel and A. L. McClellan, The Hydrogen Bond (Freeman, San Francisco, 1960).
51. K. Liu, J. D. Cruzan, and R. J. Saykally, Science 271, 929 (1995).
52. J. K. Gregory and D. C. Clary, J. Phys. Chem. 100, 18014 (1996).
53. J. A. Dickinson, M. R. Hockridge, E. G. Robertson, and J. P. Simons, J. Phys. Chem. A 103, 6938 (1999).
54. B. Stepanov, Nature (London) 157, 808 (1946).
55. N. Sheppard, in Hydrogen Bonding, edited by D. Hadzi (Pergamon, London, 1959), p. 85.
56. A. C. Legon and D. J. Millen, Chem. Rev. 86, 635 (1986).
57. Y. Marechal, Infrared Spectra of H-bonded Molecules (Kluwer, Dordrecht, 1991).
58. O. Henri-Rousseau and P. Biaise, Adv. Chem. Phys. 103, 1 (1998).
59. O. Henri-Rousseau and P. Blaise, Chem. Phys. 250, 249 (1999).
60. D. Chamma and O. Henri-Rousseau, Chem. Phys. 248, 91 (1999).
61. G. C. Schatz and M. A. Ratner, Quantum Mechanics in Chemistry (Prentice-Hall, Englewood Cliffs, NJ, 1993).
62. A. Bach, S. Coussan, A. Muller, and S. Leutwyler, J. Chem. Phys. 112, 1192 (2000).
63. M. Petukhov, D. Cregut, C. M. Soares, and L. Serrano, Protein Sci. 8, 1982 (1999).