Determination of the Singlet-Triplet Splitting and Electron Affinity of o-Benzyne by Negative Ion Photoelectron Spectroscopy

Journal of the American Chemical Society

Volumn 108, Issue 7, 1986, Pages 1379-1384

  Leopold, Doreen G ^a   Lineberger, W C ^b   Miller, Amy E S ^c  

^a UNIVERSITY OF COLORADO   (United States)

^b University of Colorado   (United States)

^c BRYN MAWR COLLEGE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33845375008     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja00267a003     Document Type: Article

References (58)

1. Roberts, J. D.; Simmons, H. E.; Carlsmith, L. A.; Vaughan, C. W. J. Am. Chem. Soc. 1953, 75, 3290.
2. Newton, M. D. “Applications of Electronic Structure Theory”; Schaefer, H. F., III, Ed.; Plenum Press: New York, 1977; pp 223–275.
3. Krebs, A.; Wilke, J. Top. Curr. Chem. 1983, 109, 189.
4. Hoffmann, R. W. “Dehydrobenzene and Cycloalkynes”; Academic Press: New York, 1967.
5. Gilchrist, T. L.; Rees, C. W. “Carbenes, Nitrenes and Arynes”; Appleton-Century-Crofts: New York, 1969.
6. Millie, P.; Praud, L.; Serre, J. Int. J. Quantum Chem. 1971, 4, 187.
7. Wilhite, D. L.; Whitten, J. L. J. Am. Chem. Soc. 1971, 93, 2858.
8. Newton, M. D.; Fraenkel, H. A. Chem. Phys. Lett. 1973, 18, 244.
9. Noell, J. O.; Newton, M. D. J. Am. Chem. Soc. 1979, 101, 51.
10. Bock, C. W.; George, P.; Trachtman, M. J. Phys. Chem. 1984, 88, 1467.
11. Coulson, C. A. Chem. Soc. Symp., Bristol, Spec. Publ. 1958, 12, 85.
12. Simmons, H. E. J. Am. Chem. Soc. 1961, 83, 1657.
13. Hoffmann, R.; Imamura, A.; Hehre, W. J. J. Am. Chem. Soc. 1968, 90, 1499.
14. Atkin, R. W.; Claxton, T. A. Trans. Faraday Soc. 1970, 66, 257.
15. Haselbach, E. Helv. Chim. Acta 1971, 54, 1981.
16. Dewar, M. J. S.; Li, W.-K. J. Am. Chem. Soc. 1974, 96, 5569.
17. Yamaguchi, K.; Nishio, A.; Yabushita, S.; Fueno, T. Chem. Phys. Lett. 1978, 53, 109.
18. Dewar, M. J. S.; Ford, G. P.; Rzepa, H. S. J. Mol. Struct. 1979, 51, 275.
19. Thiel, W. J. Am. Chem. Soc. 1981, 103, 1420.
20. Dewar, M. J. S.; Ford, G. P.; Reynolds, C. H. J. Am. Chem. Soc. 1983, 105, 3162.
21. Chapman, O. L.; Mattes, K.; McIntosh, C. L.; Pacansky, J.; Calder, G. V.; Orr, G. J. Am. Chem. Soc. 1973, 95, 6134.
22. Chapman, O. L.; Chang, C.-C.; Kolc, J.; Rosenquist, N. R.; Tomioka, H. J. Am. Chem. Soc. 1975, 97, 6586.
23. Dunkin, I. R.; MacDonald, J. G. J. Chem. Soc., Chem. Commun. 1979, 772.
24. Laing, J. W.; Berry, R. S. J. Am. Chem. Soc. 1976, 98, 660.
25. Nam, H.-H.; Leroi, G. E. Spectrochim. Acta 1985, 41A, 67.
26. Ng, L.; Jordan, K. D.; Krebs, A.; Rueger, W. J. Am. Chem. Soc. 1982, 104, 7414.
27. Rondan, N. G.; Domelsmith, L. N.; Houk, K. N.; Bowne, A. T.; Levin, R. H. Tetrahedron Lett. 1979, 35, 3237.
28. Strozier, R. W.; Caramella, P.; Houk, K. N. J. Am. Chem. Soc. 1979, 101, 1340.
29. Buenker, R. J.; Peyerimhoff, S. D. Chem. Rev. 1974, 74, 127.
30. Chu, S. Y.; Goodman, L. J. Am. Chem. Soc. 1975, 97, 7.
31. Hoffman, D. M.; Hoffmann, R.; Fisel, C. R. J. Am. Chem. Soc. 1982, 104, 3858.
32. Leopold, D. G.; Murray, K. K.; Miller, A. E. S.; Lineberger, W. C. J. Chem. Phys. 1985, 83, 4849.
33. Feigerle, C. S. Ph.D. Thesis, University of Colorado, 1983, unpublished.
34. Feigerle, C. S.; Stevens, A. E.; Spence, D.; Burnett, S. M.; Lineberger, W. C., in preparation.
35. Ferguson, E. E.; Fehsenfeld, F. C.; Schmeltekopf, A. L. Adv. Atom. Mol. Phys. 1969, 5, 1.
36. DePuy, C. H.; Bierbaum, V. M. Acc. Chem. Res. 1981, 14, 146.
37. Bierbaum, V. M.; Ellison, G. B.; Leone, S. R. “Gas Phase Ion Chemistry III”; Bowers, M. T., Ed.; Academic Press: New York, 1984; pp 1–39.
38. Cooper, J.; Zare, R. N. J. Chem. Phys. 1968, 48, 942.
39. Bruins, A. P.; Ferrer-Correia, A. J.; Harrison, A. G.; Jennings, K. R.; Mitchum, R. K. Adv. Mass Spectrom. 1978, 7, 355.
40. Hotop, H.; Lineberger, W. C. J. Phys. Chem. Ref. Data, in press.
41. Shimanouchi, T. “Tables of Molecular Vibrational Frequencies; Consolidated”; National Bureau of Standards: Washington, D.C., 1972; Vol. I.
42. Stidham, H. D.; Tucci, J. V. Spectrochim. Acta 1967, 23a, 2233.
43. Miller, A. E. S.; Lineberger, W. C., in preparation.
44. Jordan, K. D.; Burrow, P. D. Acc. Chem. Res. 1978, 11, 341.
45. Burrow, P. D.: Jordan. K. D. J. Am. Chem. Soc. 1982, 104, 5247.
46. Janousek, B. K.; Brauman, J. I.; Simons, J. J. Chem. Phys. 1979, 71, 2057.
47. Oakes, J. M.; Ellison, G. B. J. Am. Chem. Soc. 1983, 105, 2969.
48. Oakes, J. M. Ph.D. Thesis, University of Colorado, 1984, unpublished.
49. Zimmerman, A. H.; Jackson, R. L.; Janousek, B. K.; Brauman, J. I. J. Am. Chem. Soc. 1978, 100, 4674.
50. Janousek, B. K.; Brauman, J. I. “Gas Phase Ion Chemistry 11”; Academic Press: New York, 1979; pp 53–86.
51. Burnett, S. M.; Stevens, A. E.; Feigerle, C. S.; Lineberger, W. C. Chem. Phys. Lett. 1983, 100, 124.
52. Eland, J. H. D. “Photoelectron Spectroscopy”; Wiley: New York, 1974; pp 110–129.
53. Pollack, S. K.; Hehre, W. J. Tetrahedron Lett. 1980, 21, 2483.
54. Gruetzmacher, H. F.; Lohmann, J. Liebigs. Ann. Chem. 1967, 705, 81.
55. McMillen, D. F.; Golden, D. M. Annu. Rev. Phys. Chem. 1982, 33, 493.
56. Stull, D. R.; Prophet, H. “JANAF Thermochemical Tables”; Natl. Stand. Ref. Data Ser., Natl. Bur. Stand, NSRDS-NBS 37; U.S. Government Printing Office: Washington, D.C., 1971.
57. Sharp, T. E.; Rosenstock, H. M. J. Chem. Phys. 1964, 41, 3453.
58. Wilson, E. B., Jr. Phys. Rev. 1934, 45, 706.