Cyclic perfluorocarbon radicals and anions having high global warming potentials (GWPs): Structures, electron affinities, and vibrational frequencies

Journal of the American Chemical Society

Volumn 126, Issue 21, 2004, Pages 6692-6702

  Bera, Partha Pratim ^a   Horný, Ľuboš ^a   Schaefer III, Henry F ^a  

^a UNIVERSITY OF GEORGIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

FREE RADICALS; GLOBAL WARMING; HYDROCARBONS; NEGATIVE IONS; PROBABILITY DENSITY FUNCTION;

HYDROCARBON RADICALS; VIBRATIONAL FREQUENCIES;

FLUOROCARBONS;

ANION; FLUOROCARBON; RADICAL;

ARTICLE; BINDING AFFINITY; ELECTRIC POTENTIAL; ELECTRON TRANSPORT; FREQUENCY ANALYZER; GREENHOUSE EFFECT; STRUCTURE ANALYSIS; VIBRATION;

EID: 2542515318     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0305297     Document Type: Article

References (46)

1. Simmonds, P. G.; Greally, B. R.; Olivier, S.; Nickless, G.; Cook, K. M.; Dietz, R. N. Atmos. Environ. 2002, 36, 2147.
2. World Meteorological Organization (WMO), Scientific Assessment of Ozone Depletion, 1988. Albritton, D., Ed. Report 44, Global Ozone Res. and Monit. Project, Geneva, 1999.
3. United Nations Framework Convention on Climate Change. 1997, The Kyoto Protocol to the UNFCC, FCCC-CP-1997-1., 7-Add 1.
4. Dagani, R. Synthetic Blood Research Progressing. Chem. Eng. News 1982, 60, 31.
5. Zyron 8020. DuPont, Zyron Electronic Gases for Plasma Process Applications.
6. De Bertoli, M.; Pecchio, E. J. High-Res. Chromatogr. Commun. 1985, 8, 422-425.
7. Dietz, R. N. Perfluorocarbon Tracer Technology, BNL, 38847. In Regional and Long-Range Transport of Air Pollution; Sndroni, S., Ed.; Elsevier: Amsterdam, 1987; p 215.
8. Wong, M. W.; Radom, L. J. Am. Chem. Soc. 1993, 115, 1507.
9. Rogers, D. W.; McLafferty, F. J. Phys. Chem. 1995, 99, 1375.
10. Smith, B. J.; Radom, L. J. Phys. Chem. 1991, 95, 10549.
11. Glukhovtsev, M. N.; Lalter, S.; Pross, A. J. Phys. Chem. 1996, 100, 17801.
12. Fessenden, R. W.; Schuler, R. H. J. Chem. Phys. 1963, 39, 2147.
13. Ellinger, Y.; Subra, R.; Levy, B.; Millie, P.; Berthier, G. J. Chem. Phys. 1975, 62, 10.
14. Dupuis, M.; Pacansky, J. J. Chem. Phys. 1982, 76, 2511.
15. Cremer, D.; Kraka, E. J. Am. Chem. Soc. 1985, 107, 3800.
16. Dyke, J.; Ellis, A.; Jonathon, N.; Morris, A. J. Chem. Soc., Faraday Trans. 2 1985, 81, 1573.
17. Cremer, D.; Gauss, J. J. Am. Chem. Soc. 1986, 108, 7467.
18. Schleyer, P. v. R.; Spitznagel, G. W.; Chandrashekhar, J. Tetrahedron Lett. 1986, 27, 4411.
19. Frolicher, S. W.; Freiser, B. S.; Squires, R. R. J. Am. Chem. Soc. 1986, 108, 2853.
20. Seburg, R. A.; Squires, R. A. Int. J. Mass Spec. Ion Processes 1997, 167/ 168, 541.
21. Rienstra-Kiracofe, J. C.; Tschumper, G. S.; Schaefer, H. F.; Nandi, S.; Ellison, G. B. Chem. Rev. 2002, 102, 231.
22. King, R. A.; Pettigrew, N. D.; Schaefer, H. F. J. Chem. Phys. 1997, 107, 8536.
23. Tschumper, G. S.; Fermann, J. T.; Schaefer, H. F. J. Chem. Phys. 1995, 14, 3676.
24. Tschumper, G. S.; Schaefer, H. F. J. Chem. Phys. 1997, 107, 2529.
25. Curtiss, L. A.; Redfern, P. C.; Raghavachari, K.; Pople, J. A. J. Chem. Phys. 1998, 109, 42.
26. Ziegler, T.; Gutsev, G. L. J. Comput. Chem. 1991, 13, 70.
27. King, R. A.; Mastryukov, V. S.; Tschumper, G. S.; Schaefer, H. F. J. Chem. Phys. 1996, 105, 6880.
28. Van Huis, T. J.; Galbraith, J. M.; Schaefer, H. F. Mol. Phys. 1996, 89, 607.
29. Chong, G. P.; Ng, C. Y. J. Chem. Phys. 1993, 98, 759.
30. King, R. A.; Galbraith, J. M.; Schaefer, H. F. J. Phys. Chem. 1996, 100, 6061.
31. Cole, L. A.; Perdew, J. P. Phys. Rev. A 1982, 25, 1265.
32. Grafton, A. K.; Wheeler, R. A. J. Phys. Chem. 1997, 101, 7154.
33. Boesch, S. E.; Grafton, A. K.; Wheeler, R. A. J. Phys. Chem. 1996, 100, 10083.
34. Rienstra-Kiracofe, J. C.; Graham, D. E.; Schaefer, H. F. Mol. Phys. 1998, 94, 767.
35. Galbraith, J. M.; Schaefer, H. F. J. Chem. Phys. 1996, 105, 862.
36. Roesch, N.; Tricky, S. B. J. Chem. Phys. 1997, 106, 8941.
37. Dunning, T. H. J. Chem. Phys. 1971, 55, 3958.
38. Huzinaga, S. J. Chem. Phys. 1962, 42, 1293.
39. Dunning, T. H. J. Chem. Phys. 1970, 53, 2823.
40. Lee, T. J.; Schaefer, H. F. J. Chem. Phys. 1985, 83, 1784.
41. Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
42. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. 1988, B 37, 785.
43. Becke, A. D. Phys. Rev. 1988, A 38, 3098.
44. Perdew, J. P. Phys. Rev. 1986, B 33, 8822.
45. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Peterson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Oritz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94; Gaussian, Inc: Pittsburgh, PA, 1995.
46. Sturges, W. T.; Wallington, T. J.; Hurley, M. D.; Shine, K. P.; Sihra, K.; Angel, A.; Oram, D. E.; Penkett, S. A.; Mulvaney, R.; Brenninkmeijer, C. A. M. Science 2000, 289, 611.