Dynamics of the gas-phase reactions of fluoride ions with chloromethane

Journal of Physical Chemistry A

Volumn 105, Issue 16, 2001, Pages 4042-4051

  Angel, Laurence A ^a   Ervin, Kent M ^a  

^a UNIVERSITY OF NEVADA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

THRESHOLD ENERGY;

CHARGE TRANSFER; CHLORINE COMPOUNDS; DISSOCIATION; FLUORINE; HYDROGEN BONDS; MASS SPECTROMETRY; NEGATIVE IONS; PROBABILITY DENSITY FUNCTION; SUBSTITUTION REACTIONS;

REACTION KINETICS;

EID: 0035953975     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0042866     Document Type: Article

References (64)

1. Chabinyc, M. L.; Craig, S. L.; Regan, C. K.; Brauman, J. I. Science 1998, 279, 1882.
2. Hase, W. L. Science 1994, 266, 998.
3. N2 Mechanism; John Wiley and Sons: New York, 1992.
4. Olmstead, W. N.; Brauman, J. I. J. Am. Chem. Soc. 1977, 99,4219.
5. Dodd, J. A.; Brauman, J. I. J. Phys. Chem. 1986, 90, 3559.
6. Brauman, J. I. J. Mass Spectrom. 1995, 30, 1649.
7. Su, T.; Morris, R. A.; Viggiano, A. A.; Paulson, J. F. J. Phys. Chem. 1990, 94, 8426.
8. Wang, H.; Hase, W. L. /. Am. Chem. Soc. 1997, 119, 3093.
9. Su, T.; Wang, H.; Hase, W. L. J. Phys. Chem. A 1998,102, 9819.
10. DePuy, C. H.; Gronert, S.; Mullin, A.; Bierbaum, V. M. J. Am. Chem. Soc. 1990, 112, 8650.
11. O'Hair, R. A.; Davico, G. E.; Hacaloglu, J.; Dang, T. T.; DePuy, C. H.; Bierbaum, V. M. J. Am. Chem. Soc. 1994, 776, 3609.
12. Su, T.; Bowers, M. Int. J. Mass Spectrom. Ion Phys. 1973, 72, 347.
13. VanOrden, S. L.; Pope, R. M.; Buckner, S. W. Org. Mass Spectrom. 1991, 26, 1003.
14. Tachikawa, H.; Igarashi, M. Chem. Phys. Lett. 1999, 303, 81.
15. Tachikawa, H. J. Phys. Chem. A 2000, 104, 497.
16. Cyr, D. A.; Scarton, M. G.; Wiberg, K. B.; Johnson, M. A.; Nonose, S.; Hirokawa, J.; Tanaka, H.; Kondow, T.; Morris, R. A.; Viggiano, A. A. J. Am. Chem. Soc. 1995, 777, 1828.
17. DeTuri, V. F.; Hintz, P. A.; Ervin, K. M. J. Phys. Chem. A 1997, 707, 5969.
18. Zellermann, G.; Vietzke, E. Radiochem. Acta 1990, 50, 107.
19. Schlegel, H.; Mislow, K.; Bemardi, F.; Bottoni, A. Theor. Chim. Acta 1977, 44, 245.
20. Ervin, K. M.; Armentrout, P. B. J. Chem. Phys. 1985, 83, 166.
21. Rodgers, M. T.; Ervin, K. M.; Armentrout, P. B. J. Chem. Phys. 1997, 706, 4499.
22. Armentrout, P. Int. J. Mass. Spectrom. 2000, 200, 219.
23. Herzberg, G. Molecular Spectra and Molecular Structure II. Infrared and Roman Spectra of Polyatomic Molecules; Van Nostrand Reinhold: New York, 1945.
24. Beyer, T. S.; Swinehart, D. F. Commun. ACM 1973, 76, 379.
25. Stein, S. E.; Rabinovitch, B. S. J. Chem. Phys. 1973, 58, 2438.
26. Stein, S. E.; Rabinovitch, B. S. Chem. Phys. Lett. 1977, 49, 183.
27. Chantry, P. J. J. Chem. Phys. 1971, 55, 2746.
28. Lifshitz, C.; Wu, R.; Tiernan, T. O.; Terwilleger, D. T. J. Chem. Phys. 1978, 68, 247.
29. Armentrout, P. B.; Ervin, K. M. CRUNCH; Fortran program.
30. Taylor, B. N.; Kuyatt, C. Guidelines for Evaluating and Expressing the Uncertainty of NIST Measurement Results; NIST Technical Note 1297; National Institute of Standards and Technology: Washington, DC, 1994.
31. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, 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.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, 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.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gatissian98, Revision A.6; Gaussian, Inc.: Pittsburgh, PA, 1998.
32. Glukhovtsev, M.; Bach, R.; Pross, A.; Rado'm, L. Chem. Phys. Lett. 1996, 260, 558.
33. Gritsenko, O.; Ensing, B.; Schipper, P.; Baerends, E. J. Phys. Chem. A 2000, 104, 8558.
34. Wolfe, S. Can. J. Chem. 1984, 62, 1465.
35. Shi, Z.; Boyd, R. J. J. Am. Chem. Soc. 1990, 772, 6789.
36. Glukhovtsev, M. N.; Pross, A.; Radom, L. J.'Am. Chem. Soc. 1996, 77S, 6273.
37. Botschwina, P.; Horn, M.; Seeger, S.; Oswald, R. Ber. BunsenGes. Phys. Chem. 1997, 707, 387.
38. Su, T. J. Chem. Phys. 1994, 700, 4703.
39. Gronert, S. J. Am. Chem. Soc. 1991,113, 6041.
40. Bartmess, J. E. In NIST Chemistry WebBook, NIST Standard Reference Database Number 69; Mallard, W. G., Linstrom, P. J., Eds.; National Institute of Standards and Technology: Gaithersburg, MD, Jan 2000 (http://webbook.nist.gov).
41. Ingemann, S.; Nibbering N. M. M. J. Chem. Soc., Perkin Trans. 2 1985, 837, 837.
42. DeTuri, V. F.; Su, M. A.; Ervin, K. M. J. Phys. Chem. A 1999, 70J, 1468.
43. DeTuri, V.; Ervin, K. To be submitted.
44. Yencha, A.; Lopes, M.; King, G.; Hochlaf, M.; Song, Y.; Ng, C-Y. Faraday Discuss. 2000, 775, 355.
45. Martin, J.; Hepburn, J. Faraday Discuss. 2000, 775, 416.
46. Henchman, M.; Hierl, P. M.; Paulson, J. F. J. Am. Chem. Soc. 1985, 707, 2812.
47. Gurvich, L. V.; Veyts, I. V.; Alcock, C. B. Thermodynamic Properties of Individual Substances, 4th ed.; Hemisphere Publishing Corp.: New York, 1991.
48. Barlow, S. E.; Van Doren, J. M.; Bierbaum, V. M. J. Am. Chem. Soc. 1988, 110, 7240.
49. Glukhovtsev, M. N.; Pross, A.; Schlegel, H. B.; Bach, R. D.; Radom, L. J. Am. Chem. Soc. 1996, 118, 11258.
50. Deng, L.; Branchadell, V.; Ziegler, T. J. Am. Cliem. Soc. 1994, 116, 6, 10645.
51. NIST Chemistry WebBook; NIST Standard Reference Database Number 69; Mallard, W. G., Linstrom, P. J., Eds.; National Institute of Standards and Technology: Gaithersburg, MD, Jan 2000 (http:/Aveb-book.nist.gov).
52. Dispert, H.; Lacmann, K. Int. J. Mass Spectrom. Ion Phys. 1978, 28, 49.
53. Harland, P.; Thynne, J. C. J. J. Phys. Chem. 1969, 73, 4031.
54. Dudin, A. V.; Gorokhov, L. N.; Baluev, A. V. Izv. Akad. Nauk SSR Ser. Khim. 1979, 2408.
55. Dispert, H.; Lacmann, K. Chem. Phys. Lett. 1977, 47, 533.
56. Rosenstock, H. M. Int. J. Mass Spectrom. Ion Phys. 1976, 20, 139.
57. Murray, K. K.; Leopold, D. G.; Miller, T. M.; Lineberger, W. C. J. Chem. Phys. 1988, 89, 5442.
58. Nguyen, M. T.; Ha, T.-K. Chem. Phys. Lett. 1987, 136, 413.
59. Van Huis, T. J.; Galbraith, J. M.; Schaefer H. F. Mol. Phys. 1996, . 89, 607.
60. Curtiss, L. A.; Raghavachari, K.; Redfern, P. C.; Rassolov, V.; Pople, J. A. J. Chem. Phys. 1998, 709, 7764. Supplementary material at . http://chemistry.anl.gov/compmat/g3theory.html.
61. Kolesov, V. RUSS. Chem. Rev. 1978, 47, 1145.
62. Berry, R.; Burgess, D.; Nyden, M.; Zachariah, M.; Schwanz, M. J. Phys. Chem. 1995, 99, 17145.
63. Graul, S. T.; Squires, R. R. J. Am. Chem. Soc. 1990, 772, 2517.
64. Gilles, M.; Ervin, K.; Ho, J.; Lineberger, W. J. Phys. Chem. 1992, 96, 1130.