Participation of a Hydrogen-Bridged Intermediate Ion [O=C(H)-H..Co]+ in the Loss of Co from Ionized Glyoxal?

  • Paul J. A. Ruttink


In a recent paper [1] concerned with the identification of dihydroxyacetylene, HO-CC-OH, as a stable neutral molecule in the gas phase by neutralizing the corresponding cation [HO-CC-OH]+. (1) in a NRMS experiment [2], three other isomeric C2H2O2 +. ions were briefly investigated, i.e. ionized glyoxal, [CHO-CHO]+.(2), ionized hydroxyketene, [HOC(H)=C=O]+.(2) and [CHO-O-CO]+. (4). It was further suggested that ionized glyoxal, (2), isomerizes into a stabfe hydrogen bridged intermediate with a -C..H..C- bridge, viz. [O=C(H)-H ..CO]+.- (2a) prior to its unimolecular dissociation into CH2O+. + CO.


Reference Configuration Dissociation Rate Constant Kinetic Energy Release Zero Point Vibrational Energy Electronic Correlation Effect 
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  1. [1]
    Terlouw, J.K., Burgers, P.C., van Baar, B.L.M., Weiske, T., Schwartz, H., Omnia 1986, 40, 357Google Scholar
  2. [2]a)
    Wesdemiots, C., McLafferty, F.W., submitted to Chem. Rev. Google Scholar
  3. [2]b)
    Terlouw, J.K., Schwar z, H., submitted to Angew. Chem. Int. Ed. Engl.Google Scholar
  4. [3]
    Terlouw, J.K., private communicationGoogle Scholar
  5. [4]
    Heinrich, N., Schmidt, J., Schwar z, H., Apeloig, Y., J. Am. Chem. Soc. 1987,109, 1217CrossRefGoogle Scholar
  6. [5]
    Burgers, P.C., Holmes, J.L., Hop, C.E.C.A., Postma, R., Ruttink, P.J.A., Terlouw, J.K., J. Am. Chem. Soc. 1987,109, in pressGoogle Scholar
  7. [6] a)
    Postma, R., Ruttink, P.J.A., van Duijneveldt, F.B., Terlouw, J.K., Can. J. Chem. 1985,63, 2758CrossRefGoogle Scholar
  8. [6] b)
    Postma, R., van Helden, S.P., van Lenthe, J.H., Ruttink, P.J.A., Terlouw, J.K., Holmes, J.H., submitted to Org. Mass Spectrom. Google Scholar
  9. [7] a)
    Postma, R., Ruttink, P.J.A., van Baar, B.L.M., Terlouw, J.K., Holmes, J.H., Burgers, P.C., Chem. Phys. Letters 186, 123, 409Google Scholar
  10. [7] b)
    Postma, R., Ruttink, P.J.A., Terlouw, J.K., Holmes, J.L. J. Chem. Soc. Commun. 1986, 683Google Scholar
  11. [8]
    Quack, M., Troe, J. Ber. Bunsenges. Phys. Chem. 1974, 78, 240,Google Scholar
  12. [8a]
    Quack, M., Troe, J. Ber. Bunsenges. Phys. Chem. 1975,79, 469Google Scholar
  13. [9]
    Ruttink, PJ.A. J. Phvs. Chem. 1987, 91, 703CrossRefGoogle Scholar
  14. [10]
    Robinson, P.J., Holbrook, K.A. Unimolecular Reactions, 1st ed.; Wiley-Interscience, New York, 1972Google Scholar
  15. [10a]
    Forst, W. Theory of Unimolecular Reactions, 1st ed.; Academic Press, New York, 1973Google Scholar
  16. [11]
    Dupuis, M., Spangler, D., Wendolowski, J. NRCC Software Catalog vol I, program no. QG01 (GAMESS), 1980Google Scholar
  17. [11a]
    Guest, M.F., Kendrick, J. GAMESS User Manual, An Introductory Guide, CCP/86/1 Daresbury Laboratory, 1986Google Scholar
  18. [12]
    Saunders, V.R., van Lenthe, J.H. Mol. Phys. 1983,48, 923CrossRefGoogle Scholar
  19. [13]
    Pople, J.A., Seeger, R., Krishnan, R. Int. J. Quantum Chem. Symp. 1977, 11, 149CrossRefGoogle Scholar
  20. [14]
    Pople, J.A., Schlegel, H.B., Krishnan, R., DeFrees, DJ., Binkley, J.B., Frisch MJ.,Whiteside, R.A., Hout jr, R.F., Hehre, W.J. Int. J. Quantum Chem. Symp. 1981. 15. 269Google Scholar
  21. [15]
    Rosenstock, H.M., Draxl, K., Steiner, B.W., Herron, J.T., J, Phys. Chem. Ref. Data 1977, 6, Suppl. 1Google Scholar
  22. [16]
    Bouma, W.J., Burgers, P.C., Holmes, J.L., Radom, L., J. Am. Chem. Soc. 1986, 108, 1767CrossRefGoogle Scholar
  23. [17]
    Osamura, Y. Goddard, J.D. Schaefer III, H.F. Kim, K.S. J. Chem. Phvs. 1981. 74. 617CrossRefGoogle Scholar
  24. [18]
    Brocks, G., van der Avoird, A., Sutcliffe, B.T., Tennyson, Mol. Phys, 1983, 50, 1025CrossRefGoogle Scholar
  25. [19]
    McLean, A.D., Yoshimine, M. J. Chem. Phys. 1967, 47, 1927Google Scholar
  26. [19a]
    van der Avoird, A., Wormer, P.E.S., Mulder, F., Berns, R.M. Top. Curr. Chem. 1980, 93, 1CrossRefGoogle Scholar
  27. [20]
    Terlouw, J.K., Heerma, W., Dijkstra, G. Org. Mass Spectrom. 1981,16, 326CrossRefGoogle Scholar
  28. [21]
    Bowers, M.T., Jarrold, M.F., Wagner-Redeker, W., Kemper, P.R., Bass, L.M. Faraday Discuss, Chem, Soc., 1983, 75, 57CrossRefGoogle Scholar
  29. [22]
    Holmgren, S.L., Waldman, M., Klemperer, W.J. J. Chem. Phvs. 1977, 67, 4414CrossRefGoogle Scholar
  30. Tennyson, J., Sutcliffe, B.T. J. Chem. Phys. 1982, 77, 4061CrossRefGoogle Scholar

Copyright information

© Plenum Press, New York 1988

Authors and Affiliations

  • Paul J. A. Ruttink
    • 1
  1. 1.Theor. Chem. Group, Dept.of ChemistryState University of UtrechtDe Uithof, UtrechtThe Netherlands

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