Inner-shell excitation spectroscopy of aniline, nitrobenzene, and nitroanilines

Canadian Journal of Chemistry

Volumn 74, Issue 6, 1996, Pages 851-869

  Turci, Cássia C ^a,b   Urquhart, Stephen G ^b   Hitchcock, Adam P ^b  

^a FEDERAL UNIVERSITY OF RIO DE JANEIRO   (Brazil)

^b MCMASTER UNIVERSITY   (Canada)

Author keywords

EHMO calculations; Electronic structure; Inner shell excitation; Nitroanilines

Indexed keywords

CALCULATIONS; CHARGE TRANSFER; ELECTRONIC STRUCTURE; ELECTRONS; IONIZATION; MOLECULAR DYNAMICS; MOLECULES; NITROGEN COMPOUNDS; PHOTOEMISSION;

ANILINE; AROMATIC MOLECULES; CORE EXCITATION SPECTROSCOPY; EXTENDED HUECKEL MOLECULAR ORBITAL; INNER SHELL EXCITATION; MOMENTUM TRANSFER; NITROANILINES; NITROBENZENE;

ELECTRON ENERGY LOSS SPECTROSCOPY;

EID: 0030172152     PISSN: 00084042     EISSN: None     Source Type: Journal    
DOI: 10.1139/v96-094     Document Type: Article

References (52)

1. W. Domcke, L.S. Cederbaum, J. Schirmer, and W. Von Niessen. Phys. Rev. Lett. 42, 1237 (1979).
2. M.S. Banna. Chem. Phys. 45 383 (1980); A.R. Slaughter, M.S. Banna, and C.A. McDowell. Chem. Phys. Lett. 98, 531 (1983).
3. M.S. Banna. Chem. Phys. 45 383 (1980); A.R. Slaughter, M.S. Banna, and C.A. McDowell. Chem. Phys. Lett. 98, 531 (1983).
4. M. Guerra, D. Jones, F.P. Colonna, G. Distefano, and A. Modelli. Chem. Phys. Lett. 98, 522 (1983).
5. P.Å. Malmquist, S. Svensson, and H. Ågren. Chem. Phys. 76, 429 (1983).
6. P.C. Ford and I.H. Hillier. Chem. Phys. Lett. 92, 141 (1982).
7. H. Ågren, B.O. Roos, P.S. Bagus, U. Gelius, P.A. Malmquist, S. Svensson, R. Maripuu, and K. Siegbahn. J. Chem. Phys. 77, 3893 (1982).
8. R. Nakagaki, D.C. Frost, and C.A. McDowell. J. Electron Spectrosc. Relat. Phenom. 22, 289 (1981).
9. G. Distefano, M. Guerra, D. Jones, A. Modelli, and F.P. Colonna. Chem. Phys. 52, 389 (1980).
10. R.W. Bigelow, R.J. Weagley, and H.-J. Freund. Chem. Phys. Lett. 82, 305 (1981).
11. G. Distefano, M. Guerra, F.P. Colonna, D. Jones, G. Consiglio, and D. Spinelli. Chem. Phys. 72, 267 (1982).
12. H.-J. Freund, A.R. Slaughter, S.M. Ballina, M.S. Banna, R.W. Bigelow, B. Dick, J. Lex, and H.M. Deger. J. Chem. Phys. 81, 2535 (1984).
13. R.W. Bigelow and H-J. Freund. Chem. Phys. Lett. 77, 261 (1981).
14. H.-J. Freund and R.W. Bigelow. Chem. Phys. 55, 407 (1981); Phys. Scr. T17, 50 (1987).
15. H.-J. Freund and R.W. Bigelow. Chem. Phys. 55, 407 (1981); Phys. Scr. T17, 50 (1987).
16. G.R. Wight, C.E. Brion, and M.J. Van der Wiel. J. Electron Spectrosc. Relat. Phenom. 1, 457 (1972, 1973).
17. A.P. Hitchcock, S.G. Urquhart, and E.G. Rightor. J. Phys. Chem. 96, 8736 (1992).
18. S.G. Urquhart, A.P. Hitchcock, R.D. Leapman, R.D. Priester, and E.G. Rightor. J. Polym. Sci. Part B: Polym. Phys. 33, 1593 (1995); S.G. Urquhart, A.P. Hitchcock, R.D. Priester, and E.G. Rightor. J. Polym. Sci. Part B: Polym. Phys. 33, 1603 (1995).
19. S.G. Urquhart, A.P. Hitchcock, R.D. Leapman, R.D. Priester, and E.G. Rightor. J. Polym. Sci. Part B: Polym. Phys. 33, 1593 (1995); S.G. Urquhart, A.P. Hitchcock, R.D. Priester, and E.G. Rightor. J. Polym. Sci. Part B: Polym. Phys. 33, 1603 (1995).
20. H. Ade and B. Hsiao. Science, 262, 1427 (1993); H. Ade, X. Zhang, S. Cameron, C. Costello, J. Kirz, and S. Williams. Science, 258, 972 (1992).
21. H. Ade and B. Hsiao. Science, 262, 1427 (1993); H. Ade, X. Zhang, S. Cameron, C. Costello, J. Kirz, and S. Williams. Science, 258, 972 (1992).
22. J. Stöhr. NEXAFS spectroscopy. Springer, Berlin. 1992.
23. J.L. Solomon, R.J. Madix, and J. Stöhr. Surf. Sci. 255, 12 (1991).
24. Y. Luo, H. Ågren, J. Guo, P. Skytt, N. Wassdahl, and J. Nordgren. Phys. Rev. A: At. Mol. Opt. Phys. 52, 3730 (1995).
25. A.P. Hitchcock and D.C. Mancini. J. Electron Spectrosc. Relat. Phenom. 67, 1 (1994).
26. R. Hoffmann. J. Chem. Phys. 39, 1397 (1963).
27. R. Hoffmann. J. Chem. Phys. 40, 2474 (1963).
28. I.N. Levine. Quantum chemistry. 4th ed. Prentice Hall, New York. 1991.
29. W.H.E. Schwarz. Chem. Phys. 11, 217 (1975).
30. J.A. Tossel. Chem. Phys. 154, 211 (1991).
31. A.P. Hitchcock. Phys. Scr. T31, 159 (1990).
32. R.N.S. Sodhi and C.E. Brion. J. Electron Spectrosc. Relat. Phenom. 34, 363 (1984).
33. C.E. Brion, S. Daviel, R. Sodhi, and A.P. Hitchcock. AIP Conf. Proc. 94, 429 (1982).
34. A.P. Hitchcock and I. Ishii. J. Electron Spectrosc. Relat. Phenom. 42, 11 (1987).
35. E. Rühl, A.T. Wen, and A.P. Hitchcock. J. Electron Spectrosc. Relat. Phenom. 57, 137 (1991).
36. A.T. Wen, E. Rühl, and A.P. Hitchcock. Organometallics, 11, 2559 (1992).
37. J.T. Francis and A.P. Hitchcock. J. Phys. Chem. 96, 6598 (1992).
38. C. Meali and D. Proserpio. J. Chem. Educ. 67, 399 (1990).
39. Structure data of free polyatomic molecules. Vol. 7. Landolt Bornstein: New Series II. Springer, Berlin. 1976.
40. T. Ohta, T. Fujikawa, and H. Kuroda. Bull. Chem. Soc. Jpn. 48, 2017 (1975).
41. B.L. Henke, P. Lee, T.J. Tanaka, R.L. Shimabukuro, and B.K. Fujikawa. At. Data Nucl. Data Tables, 27, 1 (1982).
42. J.A. Horsley, J. Stöhr, A.P. Hitchcock, D.C. Newbury, A.L. Johnson, and F. Sette. J. Chem. Phys. 83, 6099 (1985).
43. W.H.E. Schwarz, T.C. Chang, U. Seeger, and K.H. Hwang. Chem. Phys. 117, 73 (1987).
44. M. Bader, J. Haase, K.-H. Frank, C. Ocal, and A. Puschmann. J. Phys. (Paris), 47, C8-491 (1986).
45. H. Ågren, O. Vahtras, and V. Carravetta. Chem. Phys. 196, 47 (1995).
46. S.W. Staley and A.E. Howard. Tetrahedron, 42, 6269 (1986).
47. F. Sette, J. Stöhr, and A.P. Hitchcock. J. Chem. Phys. 81, 4906 (1984).
48. E. Lindholm, L. Åsbrink, and S. Ljunggren. J. Phys. Chem. 95, 3923 (1991).
49. R.N.S. Sodhi and C.E. Brion. J. Electron Spectrosc. Relat. Phenom. 36, 187 (1985).
50. A.P. Hitchcock and J. Stöhr. J. Chem. Phys. 87, 3523 (1987).
51. T.W. Graham Solomons. Organic chemistry. 2nd ed. John Wiley & Sons, New York. 1980.
52. S. Pignataro and G. Distefano. J. Electron Spectrosc. Relat. Phenom. 2, 171 (1973).