Modelling electron-induced processes in “condensed” formic acid

Resonant states of (HCOOH)2- at low energies
  • F. A. GianturcoEmail author
  • R. R. Lucchese
  • J. Langer
  • I. Martin
  • M. Stano
  • G. Karwasz
  • E. Illenberger
Processes in Biomolecules


Quantum calculations and experiments with molecular beams have been carried out for the Formic Acid dimeric structures colliding with a beam of slow (<20 eV) electrons. The corresponding computed S-matrix poles, seen as signatures for the formation of transient negative ions, allow us to assign the resonances to specific doorway states which are suggested to be responsible for the fragmentation patterns observed in the present experiments and in earlier measurements carried out both in molecular beams and with films of formic acid. We further show the computed behaviour of partial cross-sections and partial eigenphase sums for the dominant symmetry components.


Neural Network Formic Acid Nonlinear Dynamics Molecular Beam Quantum Computing 
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  1. E.g. see: S. Scheiner, Hydrogen bonding, A Theoretical Perspective (Oxford University, New York, 1977) Google Scholar
  2. J. Chocholousova, J. Vacek, P. Hobza, Phys. Chem. Chem. Phys. 4, 2119 (2002) CrossRefGoogle Scholar
  3. F. Madeja, M. Havenith, J. Chem. Phys. 117, 7162 (2002) CrossRefGoogle Scholar
  4. F. Madeja, M. Havenith, K. Nauta, R.E. Miller, J. Chocholousova, P. Hobza, J. Chem. Phys. 120, 10554 (2004) CrossRefPubMedGoogle Scholar
  5. A. Kohen, J.P. Klinsman, Chem. Biol. 6, R191 (1999) Google Scholar
  6. B.J. Bahnson, T.D. Colby, J.K. Chin, B.M. Goldstein, J.P. Klinman, Prod. Natl. Acad. Sci. USA 94, 12797 (1997) CrossRefGoogle Scholar
  7. W.M. Irvine, P. Friberg, N. Kaifu, Y. Kitamyra, K. Kawaguchi, Astrophys. J. 342, 871 (1989) CrossRefPubMedGoogle Scholar
  8. F. Ban, J.W. Gould, R.J. Boyd, J. Phys. Chem. A 104, 10159 (2000) CrossRefGoogle Scholar
  9. M.A. Huels, B. Boudaiffa, P. Cloutier, D. Hunting, L. Sanche, J. Am. Chem. Soc. 125, 4467 (2003) CrossRefPubMedGoogle Scholar
  10. T. Sedlacko, R. Balog, A. Lafosse, M. Stano, S. Matejcik, R. Azria, E. Illenberger, Phys. Chem. Chem. Phys. 7, 1 (2003) Google Scholar
  11. A. Pelc, W. Sailer. P. Scheier, M. Probst, N.J. Mason, E. Illenberger, T.D. Maerk, Chem. Phys. Lett. 362, 277 (2002) CrossRefGoogle Scholar
  12. F.A. Gianturco, R.R. Lucchese, New J. Phys. 6, 66 (2004) CrossRefGoogle Scholar
  13. I. Martin, T. Skalicky, J. Langer, H. Abdoul-Carime, G. Karwasz, E. Illenberger, M. Stano, S. Matejcik, Phys. Chem. Chem. Phys. 7, 2212 (2005) CrossRefGoogle Scholar
  14. E. Illenberger, Chem. Rev. 92, 1589 (1992) CrossRefGoogle Scholar
  15. R.R. Lucchese, F.A. Gianturco, Int. Rev. Phys. Chem. A 15, 429 (1996) Google Scholar
  16. F.A. Gianturco, A. Jain, Phys. Rep. 143, 347 (1986) CrossRefGoogle Scholar
  17. E.g. see: Computational Methods for Electron-Molecule Collisions, edited by W.M. Huo, F.A. Gianturco (Plenum Press, N.Y., 1995) Google Scholar
  18. S.L. Altman, P. Herzig, Point-Group Theory Tables (Oxford University Press, Oxford, 1994) Google Scholar
  19. S. Hara, J. Phys. Soc. Jpn 22, 710 (1967) CrossRefGoogle Scholar
  20. J.P. Perdew, A. Zunger, Phys. Rev. B 23, 5048 (1981) CrossRefGoogle Scholar
  21. F.A. Gianturco, R.R. Lucchese, J. Chem. Phys. 111, 6769 (1999) CrossRefGoogle Scholar
  22. E.g. see: M. Tronc, M. Allan, F. Edard, ICPEAC XV Book of Abstracts, edited by J. Geddes, H.B. Gilbody, A.E. Kingston, C.J. Latimer, H.J.R. Walters (Brighton, 1987), p. 335 Google Scholar
  23. M. Kimura, O. Sueoka, A. Hamada, Y. Itikawa, Adv. Chem. Phys. 111, 537 (2000) Google Scholar

Copyright information

© EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2005

Authors and Affiliations

  • F. A. Gianturco
    • 1
    Email author
  • R. R. Lucchese
    • 2
  • J. Langer
    • 3
  • I. Martin
    • 3
  • M. Stano
    • 3
  • G. Karwasz
    • 3
  • E. Illenberger
    • 3
  1. 1.Department of ChemistryUniversity of Rome La SapienzaRomeItaly
  2. 2.Department of ChemistryTexas A & M UniversityCollege StationUSA
  3. 3.Institut für Chemie-Physikalische und Theoretische Chemie, Freie Universität BerlinBerlinGermany

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