Direct observation of the ionization threshold of triplet methylene by photoionization mass spectrometry

Journal of Chemical Physics

Volumn 108, Issue 16, 1998, Pages 6748-6755

  Litorja, Maritoni ^a   Ruscic, Branko ^a  

^a ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION; FREE RADICALS; MASS SPECTROMETRY; METHANE; ORGANIC COMPOUNDS; PHASE TRANSITIONS; STRUCTURE (COMPOSITION);

ADIABATIC IONIZATION ENERGY; DISSOCIATION ENERGY; HERZBERG VALUE; HYDROGEN ABSTRACTION; METHYLENE; PHOTOIONIZATION MASS SPECTROMETRY; ROTATIONAL AUTOIONIZATION EFFECT; VARIATIONLESS TRANSITION;

IONIZATION;

EID: 0032047072     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.476090     Document Type: Article

References (67)

1. A. Niehaus, Z. Naturforsch. 22A, 690 (1967).
2. W. Reineke and K. Strein, Ber. Bunsenges. Phys. Chem. 80, 343 (1976).
3. G. Herzberg, Proc. R. Soc. London, Ser. A 262, 291 (1961); see also G. Herzberg and J. Shoosmith, Nature (London) 183, 1801 (1959).
4. G. Herzberg, Proc. R. Soc. London, Ser. A 262, 291 (1961); see also G. Herzberg and J. Shoosmith, Nature (London) 183, 1801 (1959).
5. G. Herzberg, Can. J. Phys. 39, 1511 (1961).
6. G. Herzberg and J. W. C. Johns, J. Chem. Phys. 54, 2276 (1971).
7. (a) D. L. Yeager, J. Chem. Phys. 105, 8170 (1996)
8. (b) J. A. Nichols, D. Heryadi, D. L. Yeager, and J. T. Golab, ibid. 100, 2947 (1994)
9. (c) N. Russo, E. Sicilia, and M. Toscano, ibid. 97, 5031 (1992)
10. (d) D. Gervy and G. Verhaegen, Int. J. Quantum Chem. 12, 115 (1977).
11. D. D. Wagman et al., The NBS Tables of Chemical Thermodynamic Properties, NBS Tech. Note No. 270 [ J. Phys. Chem. Ref. Data 11, Suppl. 2 (1982)].
12. M. W. Chase et al., JANAF Thermochemical Tables, 3rd ed. [ J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985)].
13. M. W. Chase et al., JANAF Thermochemical Tables, 3rd ed. [ J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985)].
14. (a) L. V. Gurvich, I. V. Veyts, and C. B. Alcock, Thermodynamic Properties of Individual Substances (Hemisphere, New York, 1989), Vol. 1, Parts 1 and 2
15. (b) L. V. Gurvich, I. V. Veyts, and C. B. Alcock, Thermodynamic Properties of Individual Substances (Hemisphere, New York, 1991), Vol. 2, Parts 1 and 2.
16. J. Berkowitz, G. B. Ellison, and D. Gutman, J. Phys. Chem. 98, 2744 (1994).
17. W. A. Chupka and C. Lifshitz, J. Chem. Phys. 48, 1109 (1967).
18. V. H. Dibeler, M. Krauss, R. M. Reese, and F. Harllee, J. Chem. Phys. 42 3791 (1965).
19. W. A. Chupka, J. Chem. Phys. 48, 2337 (1968).
20. K. E. McCulloh and V. H. Dibeler, J. Chem. Phys. 64, 4445 (1976).
21. M. Litorja, R. Asher, and B. Ruscic (unpublished).
22. R. L. Nuttall, A. H. Laufer, and M. V. Kilday, J. Chem. Thermodyn. 3 167 (1971).
23. R. K. Lengel and R. N. Zare, J. Am. Chem. Soc. 100, 7495 (1978).
24. D. Feldmann, K. Meier, H. Zacharias, and K. H. Welge, Chem. Phys. Lett. 59, 171 (1978).
25. (a) P. R. Bunker, P. Jensen, W. P. Kraemer, and R. Beardsworth, J. Chem. Phys. 85, 3724 (1986)
26. (b) P. Jensen and P. R. Bunker, ibid. 89, 1327 (1988)
27. (c) D. G. Leopold, K. K. Murray, A. E. Stevens Miller, and W. C. Lineberger, ibid. 83, 4849 (1985).
28. C. C. Hayden, D. M. Neumark, K. Shobatake, R. K. Sparks, and Y. T. Lee, J. Chem. Phys. 76, 3607 (1982).
29. L. A. Curtiss, K. Raghavachari, G. W. Trucks, and J. A. Pople, J. Chem. Phys. 94, 7221 (1991).
30. R. S. Grev and H. F. Schaefer III, J. Chem. Phys. 97, 8389 (1992).
31. K. A. Peterson and T. H. Dunning, Jr., J. Chem. Phys. 106, 4119 (1997).
32. N. L. Doltsinis and P. J. Knowles, J. Chem. Soc., Faraday Trans. 93, 2025 (1997).
33. M. Litorja and B. Ruscic, J. Chem. Phys. 107, 9852 (1997).
34. (a) B. Ruscic and J. Berkowitz, J. Phys. Chem. 97, 11451 (1993)
35. (b) J. Chem. Phys. 100, 4498 (1994)
36. (c) 101, 7795 (1994)
37. (d) 101, 7975 (1994)
38. (e) 101, 10936 (1994)
39. (f) R. L. Asher and B. Ruscic, ibid. 106, 210 (1997)
40. (g) R. L. Asher, E. H. Appelman, and B. Ruscic, ibid. 105, 9781 (1996).
41. (a) J.-Y. Roncin and F. Launay, Atlas of the Vacuum Ultraviolet Emission Spectrum of Molecular Hydrogen, [ J. Phys. Chem. Ref. Data Monogr., 4 (1994)]
42. (b) R. L. Kelly, Atomic and Ionic Spectrum Lines Below 2000 Å: Hydrogen Through Krypton, [ J. Phys. Chem. Ref. Data 16, Suppl. 1 (1987)].
43. (a) E. Wasserman, W. A. Yager, and V. J. Kuck, Chem. Phys. Lett. 7,409 (1970)
44. (b) R. A. Bernheim, H. W. Bernard, P. S. Wang, L. S. Wood, and P. S. Skell, J. Chem. Phys. 53, 1280 (1970)
45. (c) E. Wasserman, V. J. Kuck, R. S. Hutton, and W. A. Yager, J. Am. Chem. Soc. 92, 7491 (1970)
46. (d) M. D. Marshall and A. R. W. McKellar, J. Chem. Phys. 85, 3716 (1986)
47. (e) M. Rosslein, C. M. Gabrys, M.-F. Jagod, and T. Oka, J. Mol. Spectrosc. 153, 738 (1992)
48. (f) C. F. Bender and H. F. Schaefer III, J. Am. Chem. Soc. 92, 4984 (1970)
49. (g) C. F. Bender and H. F. Schaefer III, J. Mol. Spectrosc. 37, 423 (1971)
50. (h) S. V. O'Neil, H. F. Schaefer III, and C. F. Bender, J. Chem. Phys. 55, 162 (1971)
51. (i) D. R. McLaughlin, C. F. Bender, and H. F. Schaefer III, Theor. Chim. Acta 25, 352 (1972).
52. (a) J. Berkowitz, J. P. Greene, H. Cho, and B. Ruscic, J. Chem. Phys. 86, 1235 (1987).
53. 2, as well as a rather intense hot band attributable to ionization from the lowest triplet state. Hence the suspicion that wall collisions may not be entirely efficient in electronic relaxation across different multiplicities. In retrospect, rather than attempting to explain the survival mechanism for an enhanced population of the excited triplet, one could simply postulate that the reactive singlet ground state is destroyed by wall collisions more readily than the excited triplet.
54. F. Westley, D. H. Frizzell, J. F. Herron, R. F. Hampson, and W. G. Mallard, NIST Chemical Kinetics Database, Ver. 6.0 (NIST Std Ref. Database 17) (USGPO, Washington, DC, 1994).
55. 4 appears to be displaced toward higher energy by ∼0.08 eV, although its slope is such that this gap becomes smaller as the energy increases.
56. P. C. Haarhoff, Mol. Phys. 7, 101 (1963).
57. M. E. Jacox, Vibrational and Electronic Energy Levels of Polyatomic Transient Molecules, [J. Phys. Chem. Ref. Data, Monogr. 3 (1994).
58. 3).
59. Y. Y. Yamaguchi and H. F. Schaefer III, J. Chem. Phys. 106, 8753 (1997).
60. K. K. Irikura and J. W. Hudgens, J. Phys. Chem. 96, 518 (1997); see also K. K. Irikura, R. D. Johnson III, and J. W. Hudgens, ibid. 96, 6131 (1992).
61. K. K. Irikura and J. W. Hudgens, J. Phys. Chem. 96, 518 (1997); see also K. K. Irikura, R. D. Johnson III, and J. W. Hudgens, ibid. 96, 6131 (1992).
62. (a) P. R. Bunker, T. J. Sears, A. R. W. McKellar, K. M. Evenson, and F. J. Lovas, J. Chem. Phys. 79, 1211 (1983)
63. (b) K. M. Evenson, T. J. Sears, and A. R. W. McKellar, J. Opt. Soc. Am. B 1, 15 (1984).
64. M. Rosslein, C. M. Gabrys, M.-F. Jagod, and T. Oka, J. Mol. Spectrosc. 153, 738 (1992).
65. (a) G. Herzberg, Molecular Spectra and Molecular Structure. II. Infrared and Raman Spectra of Polyatomic Molecules (Krieger, Malabar, FL, 1991)
66. (b) Molecular Spectra and Molecular Structure. III. Electronic Spectra and Electronic Structure of Polyatomic Molecules (Krieger, Malabar, FL, 1991).
67. H. Grotheer, S. Keim, H. S. T. Driver, R. J. Hutcheon, R. D. Lockett, and G. N. Robertson, Ber. Bunseges. Phys. Chem. 96, 1360 (1992).