Two-dimensional penning ionization electron spectroscopy of CH2ClI and CH2ClCN

Journal of Physical Chemistry A

Volumn 107, Issue 4, 2003, Pages 485-493

  Tian, Shan Xi ^a   Kishimoto, Naoki ^a   Ohno, Koichi ^a  

^a TOHOKU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AUTOIONIZATIONS; ELECTRON DISTRIBUTIONS; INTRAMOLECULAR ORBITAL; MOLECULAR ORBITALS; PENNING IONIZATION ELECTRON SPECTROSCOPY; SPIN-ORBIT COUPLING EFFECTS;

ANISOTROPY; ATOMIC PHYSICS; CHARGE TRANSFER; CHEMICAL BONDS; DISSOCIATION; ELECTRON TRANSPORT PROPERTIES; ELECTRONIC STRUCTURE; IONIZATION; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; PHOTOELECTRON SPECTROSCOPY; POTENTIAL ENERGY;

ORGANIC COMPOUNDS;

EID: 0037473077     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp021986x     Document Type: Article

References (61)

1. Penning, F. M. Naturwissenshaften 1927, 15, 818.
2. Illenberger, E.; Niehaus, A. Z. Phys. B 1975, 20, 33
3. Parr, T. P.; Parr, D. M.; Martin, R. M. J. Chem. Phys. 1982, 76, 316.
4. Allison, W.; Muschlitz, E. E., Jr. J. Electron Spectrosc. Relat. Phenom. 1981, 23, 339.
5. Riola, J. P.; Howard, J. S.; Rundel, R. D.; Stebbings, R. F. J. Phys. B 1974, 7, 376.
6. Woodard, M. R.; Sharp, R. C.; Seely, M.; Muschlitz, E. E., Jr. J. Chem. Phys. 1978, 69, 2978.
7. Appolloni, L.; Brunetti, B.; Hermanussen, J.; Vecchiocattivi, F.; Volpi, G. G. J. Chem. Phys. 1987, 87, 3804.
8. Lindinger, W.; Schmeltekopf, A. L.; Fehsenfeld, F. C. J. Chem. Phys. 1974, 61, 2890.
9. Pesnelle, A.; Watel, G.; Manus, C. J. Chem. Phys. 1975, 62, 3590.
10. Niehaus, A. Adv. Chem. Phys. 1981, 45, 399.
11. Hotop, H.; Niehaus, A. Z. Phys. 1969, 228, 68.
12. Ohno, K.; Mutoh, H.; Harada, Y. J. Am. Chem. Soc. 1983, 105, 4555.
13. Yencha, A. J. In Electron Spectroscopy: Theory, Technique and Application; Brundle, C. R., Baker, A. D., Eds.; Academic: New York, 1984; Vol. 5.
14. Benz, A.; Leisin, O.; Morgner, H.; Seiberle, H.; Stegmaier, J. Z. Phys. A 1985, 320, 11.
15. Tian, S. X.; Kishimoto, N.; Ohno, K. Chem. Phys. Lett. 2002, 365, 40.
16. Beckmann, K.; Leisin, O.; Morgner, H. Mol. Phys. 1986, 59, 829.
17. Črmák, V. J. Chem. Phys. 1966, 44, 3781.
18. Mitsuke, K.; Takami, T.; Ohno, K. J. Chem. Phys. 1989, 91, 1618.
19. Ohno, K.; Takami, T.; Mitsuke, K.; Ishida, T. J. Chem. Phys. 1991, 94, 2675.
20. Takami, T.; Mitsuke, K.; Ohno, K. J. Chem. Phys. 1991, 95, 918.
21. Dunlavy, D. C.; Martin, D. W.; Siska, P. E. J. Chem. Phys. 1990, 93, 5347.
22. Longley, E. J.; Dunlavy, D. C.; Falcetta, M. F.; Bevsek, H. M.; Siska, P. E. J. Phys. Chem. 1993, 97, 2097.
23. Siska, P. E. Rev. Mod. Phys. 1993, 65, 337.
24. Ohno, K.; Yamakado, H.; Ogawa, T.; Yamata, T. J. Chem. Phys. 1996, 105, 7536.
25. Hotop, H. Radiat. Res. 1974, 59, 379.
26. Auerbach, D. J. In Atomic and Molecular Beam Methods; Scoles, G., Eds.; Oxford University Press: New York, 1988; p 369.
27. Kishimoto, N.; Aizawa, J.; Yamakado, H.; Ohno, K. J. Phys. Chem. A 1997, 101, 5038.
28. Niehaus, A. Ber. Bunsen-Ges. Phys. Chem. 1973, 77, 632.
29. Tian, S. X.; Kishimoto, N.; Ohno, K. J. Phys. Chem. A 2002, 106, 6541.
30. Tian, S. X.; Kishimoto, N.; Ohno, K. J. Electron Spectrosc. Relat. Phenom. 2002, 125, 205.
31. Tian, S. X.; Kishimoto, N.; Ohno, K. Submitted.
32. Novak, I.; Benson, J. M.; Potts, A. W. Chem. Phys. 1986, 107, 129.
33. Novak, I.; Cvita, T.; Klasinc, I.; Güsten, H. J. Chem. Soc., Faraday Trans. 2 1981, 77, 2049.
34. Novak, I.; Li, D. B.; Potts, A. W.; Shareef, A.; Kovac, B. J. Org. Chem. 2002, 106, 2850.
35. Zerefos, C. S.; Isaken, I. S. A.; Ziomas, I. Chemistry and Radiation Changes in the Ozone Layer; Kluwer: Dordrecht, The Netherlands, 2001.
36. Gardner, J. L.; Samson, J. A. R. J. Electron Spectrosc. Relat. Phenom. 1976, 8, 469.
37. Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S. Handbook of He I Photoelectron Spectra of Fundamental Organic Molecules; Japan Scientific: Tokyo, 1981; and references therein.
38. Turner, D. W.; Baker, C.; Baker, A. D.; Brundle, C. R. Molecular Photoelectron Spectroscopy; Wiley: London, 1970.
39. (a) Yee, D. S. C.; Stewart, W. B.; Mcdowell, C. A.; Brion, C. E. J. Electron Spectrosc. Relat. Phenom. 1975, 7, 93.
40. (b) Hotop, H.; Hükler, G. J. Electron Spectrosc. Relat. Phenom. 1977, 11, 101.
41. Stevens, W.; Basch, H.; Krauss, J. J. Chem. Phys. 1984, 81, 6026.
42. Pauling, L. The Nature of the Chemical Bond; Cornell University: Ithaca, New York, 1960.
43. (a) von Niessen, W.; Schirmer, J.; Cederbaum, L. S.; Comput. Phys. Rep. 1984, 1, 57.
44. (b) Zakrzewski, V. G.; Ortiz, J. V. Int. J. Quantum Chem. Symp. 1994, 28, 23.
45. (c) Zakrzewski, V. G.; Ortiz, J. V. Int. J. Quantum Chem. 1995, 53, 583.
46. Rothe, E. W.; Neynaber, R. H.; Trujillo, S. M. J. Chem. Phys. 1965, 42, 3310.
47. Haberland, H.; Lee, Y. T.; Siska, P. E. Adv. Chem. Phys. 1981, 45, 487.
48. Hotop, H.; Roth, T. E.; Ruf, M.-W.; Yencha, A. J. Theor. Chem. Acc. 1998, 100, 36.
49. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrazewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mannucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; C ui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.: Cioslowski, J.; Ortiz, J. V. Stefanov, B. B. Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E . S.; Pople, J. A. Gaussian 98; Gaussian, Inc.: Pittsburgh, PA, 1998.
50. I orbital are almost equal (m = -0.42 ± 0.02; - 0.42 ± 0.01).
51. (a) Yencha, A. J.; Ganz, J.; Ruf, M.-W.; Hotop, H. Z. Phys. D 1989, 14, 57.
52. (b) Imura, K.; Kishimoto, N.; Ohno, K. J. Phys. Chem. A 2002, 106, 3759.
53. Lescop, B.; Ben Arfa, M.; Cherid, M.; Le Coz, G.; Sinou, G.; Le Nadan, A.; Tuffin, F. J. Phys. B 1997, 30, 1241.
54. 2s orbital. The flatter slope with respect to the others also indicates occurrence of the Auger-like autoionization (see the discussions in ref 20).
55. Eland, J. H. D. Photoelectron Spectroscopy: An introduction to ultraviolet photoelectron spectroscopy in the gas phase; Butterworth: London, 1974; and references therein.
56. Rabalais, J. W. Principles of Ultraviolet Photoelectron Spectra; John Wiley & Sons: New York, 1977.
57. (a) Hoffmann, R.; Imamura, A.; Hehre, W. J. J. Am. Chem. Soc. 1968, 90, 1499.
58. (b) Hoffmann, R. Acc. Chem. Res. 1971, 4, 1.
59. Heilbronner, E.; Maier, J. P. In Electron Spectroscopy: Theory, techniques and Applications; Brundle, C. R., Baker, A. D., Eds.; Academic Press: New York, 1977; Vol. 1.
60. Kishimoto, N.; Ogasawara, H.; Ohno, K. Bull. Chem. Soc. Jpn. 2002, 75, 1503.
61. Imura, K.; Kishimoto, N.; Ohno, K. J. Phys. Chem. A 2001, 105, 6378.