Electron-impact total ionization cross-sections of the chlorofluoromethanes

International Journal of Mass Spectrometry

Volumn 222, Issue 1-3, 2003, Pages 189-200

  Irikura, Karl K ^a   Ali, M Asgar ^b   Kim, Yong Ki ^a  

^a NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

^b HOWARD UNIVERSITY   (United States)

Author keywords

Ab initio; Chlorofluorocarbon; Effective core potential; Electron impact; Ionization cross section; Plasma

Indexed keywords

CHLOROFLUOROMETHANE; FREON; METHANE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL MODEL; CHEMICAL PARAMETERS; ELECTRON; IONIZATION; KINETICS; MOLECULAR MECHANICS; THEORY;

EID: 0037212279     PISSN: 13873806     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1387-3806(02)00981-8     Document Type: Article

References (49)

1. Solomon S. Rev. Geophys. 37:1999;275.
2. Ravishankara A.R., Lovejoy E.R. J. Chem. Soc., Faraday Trans. 90:1994;2159.
3. Christophorou L.G., Olthoff J.K., Wang Y. J. Phys. Chem. Ref. Data. 26:1997;1205.
4. Beran J.A., Kevan L. J. Phys. Chem. 73:1969;3866.
5. Pejčev V.M., Kurepa M.V., Cadez I.M. Chem. Phys. Lett. 63:1979;301.
6. Leiter K., Scheier P., Walder G., Märk T.D. Int. J. Mass Spectrom. Ion Process. 87:1989;209.
7. Bart M., Harland P.W., Hudson J.E., Vallance C. Phys. Chem. Chem. Phys. 3:2001;800.
8. Torres I., Martínez R., Sánchez Rayo M.N., Castaño F. J. Chem. Phys. 115:2001;4041.
9. Probst M., Deutsch H., Becker K., Märk T.D. Int. J. Mass Spectrom. 206:2001;13.
10. Kim Y.-K., Rudd M.E. Phys. Rev. A. 50:1994;3954.
11. Hwang W., Kim Y.-K., Rudd M.E. J. Chem. Phys. 104:1996;2956.
12. Kim Y.-K., Hwang W., Weinberger N.M., Ali M.A., Rudd M.E. J. Chem. Phys. 106:1997;1026.
13. Ali M.A., Kim Y.-K., Hwang W., Weinberger N.M., Rudd M.E. J. Chem. Phys. 106:1997;9602.
14. Kim Y.-K., Ali M.A., Rudd M.E. J. Res. Natl. Inst. Stand. Technol. 102:1997;693.
15. Nishimura H., Huo W.M., Ali M.A., Kim Y.-K. J. Chem. Phys. 110:1999;3811.
16. Ali M.A., Irikura K.K., Kim Y.-K. Int. J. Mass Spectrom. 201:2000;187.
17. Kim Y.-K., Irikura K.K., Ali M.A. J. Res. Natl. Inst. Stand. Technol. 105:2000;285.
18. Y.-K. Kim, K.K. Irikura, Electron-impact ionization cross-sections for polyatomic molecules, radicals, and ions, in: K.A. Berrington, K.L. Bell (Eds.), Atomic and Molecular Data and Their Applications, vol. CP543, American Institute of Physics, College Park, MD, 2000, p. 220.
19. Huo W.M., Kim Y.-K. Chem. Phys. Lett. 319:2000;576.
20. Becke A.D. J. Chem. Phys. 98:1993;5648.
21. Stephens P.J., Devlin F.J., Chabalowski C.F., Frisch M.J. J. Phys. Chem. 98:1994;11623.
22. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, Gaussian 98, Gaussian, Inc., Pittsburgh, PA, 1998.
23. Certain commercial materials and equipment are identified in this paper in order to specify procedures completely. In no case does such identification imply recommendation or endorsement by the National Institute of Standards and Technology, nor does it imply that the material or equipment identified is necessarily the best available for the purpose.
24. Schmidt M.W., Baldridge K.K., Boatz J.A., Elbert S.T., Gordon M.S., Jensen J.H., Koseki S., Matsunaga N., Nguyen K.A., Su S.J., Windus T.L., Dupuis M., Montgomery J.A. J. Comput. Chem. 14:1993;1347.
25. A.A. Granovsky, PC-GAMESS, 6.0, Moscow State University, Moscow, 2000.
26. MOLPRO is a package of ab initio programs written by H.-J. Werner, P.J. Knowles, with contributions from R.D. Amos, A. Bernhardsson, A. Berning, P. Celani, D.L. Cooper, M.J.O. Deegan, A.J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, T. Korona, R. Lindh, A.W. Lloyd, S.J. McNicholas, F.R. Manby, W. Meyer, M.E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, G. Rauhut, M. Schütz, H. Stoll, A.J. Stone, R. Tarroni, T. Thorsteinsson.
27. Bergner A., Dolg M., Küchle W., Stoll H., Preuß H. Mol. Phys. 80:1993;1431.
28. Purvis G.D., Bartlett R.J. J. Chem. Phys. 76:1982;1910.
29. Raghavachari K., Trucks G.W., Pople J.A., Head-Gordon M. Chem. Phys. Lett. 157:1989;479.
30. Dunning T.H. Jr. J. Chem. Phys. 90:1989;1007.
31. Woon D.E., Dunning T.H. Jr. J. Chem. Phys. 98:1993;1358.
32. J.F. Stanton, J. Gauss, J.D. Watts, M. Nooijen, N. Oliphant, S.A. Perera, P.G. Szalay, W.J. Lauderdale, S.A. Kucharski, S.R. Gwaltney, S. Beck, A. Balková, D.E. Bernholdt, K.-K. Baeck, P. Rozyczko, H. Sekino, C. Hober, R.J. Bartlett, ACES II, Release 3.0, is a program product of the Quantum Theory Project, University of Florida, Integral packages included are VMOL (J. Almlöf and P.R. Taylor); VPROPS (P. Taylor); ABACUS (T. Helgaker, H.J. Aa. Jensen, P. Jørgensen, J. Olsen, and P.R. Taylor).
33. von Niessen W., Schirmer J., Cederbaum L.S. Comput. Phys. Rep. 1:1984;57.
34. Zakrzewski V.G., Ortiz J.V. J. Phys. Chem. 100:1996;13979.
35. Eland J.H.D., Lablanquie P., Lavollée M., Simon M., Hall R.I., Hochlaf M., Penent F. J. Phys. B At. Mol. Opt. Phys. 30:1997;2177.
36. Kempgens B., Kivimäki A., Itchkawitz B.S., Köppe H.M., Schmidbauer M., Neeb M., Maier K., Feldhaus J., Bradshaw A.M. J. Electron Spectrosc. Relat. Phenom. 93:1998;39.
37. Hsieh S., Eland J.H.D. J. Phys. B At. Mol. Opt. Phys. 29:1996;5795.
38. Price S.D., Eland J.H.D. J. Phys. B At. Mol. Opt. Phys. 24:1991;4379.
39. Jochims H.W., Lohr W., Baumgärtel H. Ber. Bunsenges. Phys. Chem. 80:1976;130.
40. Jadrny R., Karlsson L., Mattsson L., Siegbahn K. Phys. Scr. 16:1977;235.
41. Cvitas T., Güsten H., Klasinc L. J. Chem. Phys. 67:1977;2687.
42. Cauletti C., Puliti C., Kreile J., Kurland H.-D., Schweig A., Nefedov V.I. J. Electron Spectrosc. Relat. Phenom. 46:1988;405.
43. Langford M.L., Harris F.M., Reid C.J., Ballantine J.A., Parry D.E. Int. J. Mass Spectrom. Ion Process. 112:1992;285.
44. Pradeep T., Shirley D.A. J. Electron Spectrosc. Relat. Phenom. 66:1993;125.
45. Novak I., Cvitas T., Klasinc L., Güsten H. J. Chem. Soc., Faraday Trans. II. 77:1981;2049.
46. Rejoub R., Lindsay B.G., Stebbings R.F. Phys. Rev. A. 65:2002;042713.
47. Rapp D., Englander-Golden P. J. Chem. Phys. 43:1965;1464.
48. Fletcher J., Cowling I.R. J. Phys. B. 6:1973;L258.
49. Wetzel R.C., Baiocchi F.A., Hayes T.R., Freund R.S. Phys. Rev. A. 35:1987;559.