Electron attachment and detachment: C 6F 5Cl, C 6F 5Br, and C 6F 5I and the electron affinity of C 6F 5Cl

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 71, Issue 1, 2005, Pages

  Miller, Thomas M ^a   Viggiano, A A ^a  

^a AIR FORCE RESEARCH LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON AFFINITY; ELECTRON DETACHMENTS; PERTURBATION THEORY; PLASMA DECAY;

CARRIER CONCENTRATION; DIFFUSION; EXTRAPOLATION; HIGH TEMPERATURE EFFECTS; NEGATIVE IONS; PLASMAS; RATE CONSTANTS; ROTATION; THERMODYNAMIC STABILITY;

CARBON INORGANIC COMPOUNDS;

EID: 18444362129     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.71.012702     Document Type: Article

References (29)

1. T. M. Miller, J. M. Van Doren, and A. A. Viggiano, Int. J. Mass Spectrom. Ion Processes 233, 67 (2004).
2. G. W. Dillow and P. Kebarle, J. Am. Chem. Soc. 111, 5592 (1989).
3. W. T. Naff, R. N. Compton, and C. D. Cooper, J. Chem. Phys. 54, 212 (1971).
4. C. R. Herd, N. G. Adams, and D. Smith, Int. J. Mass Spectrom. Ion Processes 87, 331 (1989).
5. H. Shimamori, T. Sunagawa, Y. Ogawa, and Y. Tatsumi, Chem. Phys. Lett. 227, 609 (1994).
6. S. Nakagawa, Chem. Phys. 282, 127 (2002).
7. D. Smith and P. Španěl, Adv. At., Mol., Opt. Phys. 32, 307 (1994).
8. T. M. Miller, A. E. S. Miller, J. F. Paulson, and X. Liu, J. Chem. Phys. 100, 8841 (1994).
9. 5I, 297 K).
10. T. M. Miller, R. A. Morris, A. E. S. Miller, A. A. Viggiano, and J. F. Paulson, Int. J. Mass Spectrom. Ion Processes 135, 195 (1994).
11. U. Berzinsh, M. Gustafsson, D. Hanstorp, A. E. Klinkmueller, U. Ljungblad, and A.-M. Maartensson-Pendrill, Phys. Rev. A 51, 231 (1995).
12. H.-P. Fenzlaff and E. Illenberger, Int. J. Mass Spectrom. Ion Processes 59, 185 (1984).
13. Q.-s. Li, X.-j. Feng, Y. Xie, and H. F. Schaefer III, J. Phys. Chem. A 108, 7071 (2004).
14. 5I.
15. D. F. McMillen and D. M. Golden, Annu. Rev. Phys. Chem. 33, 493 (1982).
16. T. M. Miller, J. F. Friedman, and A. A. Viggiano, J. Chem. Phys. 120, 7024 (2004).
17. M. W. Chase, C. A. Davies, J. R. Downey, D. J. Frurip, R. A. McDonald, and A. N. Syverud, JANAF Thermochemical Tables, 3rd ed. [J. Phys. Chem. Ref. Data 14, Suppl.No. 1, 1, (1986)].
18. T. M. Miller, S. T. Arnold, and A. A. Viggiano, Int. J. Mass Spectrom. Ion Processes 227, 413 (2003).
19. W. C. Lineberger and L. J. Puckett, Phys. Rev. 186, 116 (1969).
20. T. M. Miller, J. F. Friedman, A. E. S. Miller, and J. F. Paulson, Int. J. Mass Spectrom. Ion Processes 149/150, 111 (1995).
21. M. J. Frisch et al., GAUSSIAN 03, Revision B.02, (Gaussian, Inc., Pittsburgh, 2003).
22. A. D. Becke, J. Chem. Phys. 98, 5648 (1993).
23. J. P. Perdew, K. Burke, and Y. Wang, Phys. Rev. B 54, 16533 (1993);
24. K. Burke, J. P. Perdew, and Y. Wang, in Electron Density Functional Theory: Recent Progress and New Directions, edited by J. F. Dobson, G. Vignale, and M. P. Das (Plenum, New York, 1998).
25. L. A. Curtiss, P. C. Redfern, K. Raghavachari, V. Rassolov, and J. A. Pople, J. Chem. Phys. 110, 4703 (1999).
26. L. A. Curtiss, K. Raghavachari, and J. A. Pople, J. Chem. Phys. 98, 1293 (1993).
27. 3Cl neutral and anion, respectively), MP2(FC)/6-31G (48.13, 45.37 mhartree), and with the B3LYP method using basis sets 3-21G (51.64, 48.09 mhartree), 6-31G (49.99, 46.73 mhartree), 6-31G(d) (50.16, 47.02 mhartree), and 6-311+G(3df) (50.73, 47.00 mhartree). In each case, of necessity, the geometries were optimized at the same level of theory.
28. J. B. Foresman and Æleen Frisch, Exploring Chemistry with Electronic Structure Methods, 2nd ed. (Gaussian, Pittsburgh, 1996), p. 64.
29. M. K. Gilles, M. L. Polak, and W. C. Lineberger, J. Chem. Phys. 96, 8012 (1992).