Open-Chain and Cyclic Protonated Ozone: The Ground-State Potential-Energy Hypersurface

Journal of the American Chemical Society

Volumn 113, Issue 4, 1991, Pages 1186-1193

  Meredith, Cynthia ^a   Queich, Geoffrey E ^a   Schaefer, Henry F ^a  

^a UNIVERSITY OF GEORGIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001540591     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja00004a019     Document Type: Article

References (65)

1. Hughes, R. H. J. Chem. Phys. 1956, 24, 131.
2. Tanaka, T.; Morino, Y. J. Mol. Spectrosc. 1970, 33, 538.
3. Peyerimhoff, S. D.; Buenker, R. J. J. Chem. Phys. 1967, 47, 1953.
4. Mulliken, R. S. Can. J. Chem. 1958, 36, 10.
5. Rothenberg, S.; Schaefer, H. F. Mol. Phys. 1971, 21, 317.
6. Yamaguchi, K. Int. J. Quantum Chem. 1980, 18, 101.
7. Hayes, E. F.; Siu, A. K. Q. J. Am. Chem. Soc. 1971, 93, 2090.
8. Wright, J. S. Can. J. Chem. 1973, 51, 139.
9. Blint, R. J.; Newton, M. D. J. Chem. Phys. 1973, 59, 6220.
10. Shih, S.; Buenker, R. J.; Peyerimhoff, S. D. Chem. Phys. Lett. 1974, 28, 463.
11. Hirst, D. M. Mol. Phys. 1976, 31, 1511.
12. Burton, P. G.; Harvey, M. D. Nature 1977, 266, 826.
13. Hay, P. J.; Dunning, T. H., Jr. J. Chem. Phys. 1977, 67, 2290.
14. Harding, L. B.; Goddard, W. A., III J. Chem. Phys. 1977, 67, 2377.
15. Hiberty, P. C.; Leforestier, C. J. Am. Chem. Soc. 1978, 100, 2012.
16. Rodwell, W. R. J. Am. Chem. Soc. 1978, 100, 7209.
17. Karlström, G.; Engström, S.; Jönsson, B. Chem. Phys. Lett. 1978, 57, 390.
18. Laidlaw, W. G.; Trsic, M. Chem. Phys. 1979, 36, 323.
19. Lengsfield, B. H., III; Schug, J. C. Mol. Phys. 1978, 35, 1113.
20. Burton, P. G. J. Chem. Phys. 1979, 71, 961.
21. Wilson, C. W., Jr.; Hopper, D. G. J. Chem. Phys. 1981, 74, 595.
22. Laidig, W. D.; Schaefer, H. F. J. Chem. Phys. 1981, 74, 3411.
23. Adler-Golden, S. M.; Langhoff, S. R.; Bauschlicher, C. W.; Carney, G. D. J. Chem. Phys. 1985, 83, 255.
24. Dupuis, M.; Lester, W. A., Jr. Theor. Chim. Acta 1987, 71, 255.
25. Rendell, A. P. L.; Bacskay, G. B.; Hush, N. S.; Handy, N. C. J. Chem. Phys. 1987, 87, 5976.
26. Duran, M.; Yamaguchi, Y.; Osamura, Y.; Schaefer, H. F. J. Mol. Struct. (THEOCHEM) 1988, 163, 389.
27. Alberts, I. L. Ph.D. Thesis, Department of Theoretical Chemistry, Cambridge University, England, 1988.
28. Raghavachari, K.; Trucks, G. W.; Pople, J. A.; Replogle, E. Chem. Phys. Lett. 1989, 158, 207.
29. Cotton, F. A.; Wilkinson, G. Advanced Inorganic Chemistry, 5th ed.; John Wiley & Sons: New York, 1988; pp 452–454.
30. Morrison, R. T.; Boyd, R. N. Organic Chemistry, 4th ed.; Allyn and Bacon, Inc.: Boston, 1983; pp 384–386, 450–451.
31. Goddard, W. A., III; Dunning, T. H., Jr.; Hunt, W. J.; Hay, P. J. Acc. Chem. Res. 1973, 6, 368.
32. Hay, P. J.; Dunning, T. H., Jr.; Goddard, W. A., III J. Chem. Phys. 1975, 62, 3912.
33. Lucchese, R. R.; Schaefer, H. F. J. Chem. Phys. 1977, 67, 848.
34. Lee, T. J.; Allen, W. D.; Schaefer, H. F. J. Chem. Phys. 1987, 87, 7062.
35. Stanton, J. F.; Lipscomb, W. N.; Magers, D. H.; Bartlett, R. J. J. Chem. Phys. 1989, 90, 1077.
36. Stanton, J. F.; Bartlett, R. J.; Magers, D. H.; Lipscomb, W. N. Chem. Phys. Lett. 1989, 163, 333.
37. Scuseria, G. E.; Lee, T. J.; Seheiner, A. C.; Schaefer, H. F. J. Chem. Phys. 1989, 90, 5635.
38. Lee, T. J.; Scuseria, G. E. J. Chem. Phys. 1990, 93, 489.
39. Lee, T. J. Chem. Phys. Lett. 1990, 169, 529.
40. Natl. Stand. Ref. Data Ser. Natl. Bur. Stand. 1971, 37.
41. Olah, G. A.; Yoneda, N.; Parker, D. G. J. Am. Chem. Soc. 1976, 98, 5261.
42. Kausch, M.; Schleyer, P. v. R. J. Comp. Chem. 1980, 3, 94.
43. Mathisen, K. B.; Gropen, O.; Skancke, P. N.; Wahlgren, U. Acta Chem. Scand. A 1983, 37, 817.
44. Brooks, B. R.; Schaefer, H. F. J. Chem. Phys. 1979, 70, 5092.
45. Lee, Y. S.; Bartlett, R. J. J. Chem. Phys. 1984, 80, 4371.
46. Scuseria, G. E.; Schaefer, H. F. Chem. Phys. Lett. 1988, 146, 23.
47. Scuseria, G. E.; Schaefer, H. F. Chem. Phys. Lett. 1988, 148, 205.
48. Pulay, P. Modem Theoretical Chemistry; Schaefer, H. F., Ed.; Plenum: New York, 1977; Vol. 4, pp 153–185.
49. Scheiner, A. C.; Scuseria, G. E.; Lee, T. J.; Rice, J. E.; Schaefer, H. F. J. Chem. Phys. 1987, 87, 5361.
50. Pople, J. A.; Krishnan, R.; Schlegel, H. B.; Binkley, J. S. Int. J. Quantum Chem. 1975, S13, 225.
51. Saxe, P.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 1982, 77, 5647.
52. Osamura, Y.; Yamaguchi, Y.; Saxe, P.; Vincent, M. A.; Gaw, J. F.; Schaefer, H. F. Chem. Phys. 1982, 72, 131.
53. Huzinaga, S. J. Chem. Phys. 1965, 42, 1293.
54. Dunning, T. H. J. Chem. Phys. 1970, 53, 2823.
55. Langhoff, S. R.; Davidson, E. R. Int. J. Quantum Chem. 1974, 8, 61.
56. PSI 1.0, 1989, PSITECH Inc., Watkinsville, Georgia.
57. Lee, T. J.; Taylor, P. R. Int. J. Quantum Chem. 1989, 23. 199.
58. Lee, T. J.; Rice, J. E.; Scuseria, G. E.; Schaefer, H. F. Theor. Chim. Acta 1989, 75. 81.
59. Scuseria, G. E.; Hamilton, T. P.; Schaefer, H. F. J. Chem. Phys. 1990, 92, 568.
60. Besler, B. H.; Scuseria, G. E.; Scheiner, A. C.; Schaefer, H. F. J. Chem. Phys. 1988, 89, 360.
61. Hammond, G. S. J. Am. Chem. Soc. 1955, 77, 334.
62. Frost, D. C.; Lee, S. T.; MacDowell, C. A. Chem. Phys. Lett. 1974, 24, 149.
63. Huheey, J. E. Inorganic Chemistry: Principles of Structure and Reactivity; Harper & Row: New York, 1972; p 701.
64. CRC Handbook of Chemistry and Physics, 65th ed.; Weast, R. C., Ed.; CRC Press, Inc.: Boca Raton, FL, 1984.
65. Meredith, C.; Davy, R. D.; Schaefer, H. F. J. Chem. Phys. 1990, 93, 1215.