Il Nuovo Cimento D

, Volume 5, Issue 6, pp 541–550 | Cite as

Selective tunnelling effects in collinear chemical reactions

  • A. Laganà
  • E. Garcia
  • M. L. Hernandez
  • J. M. Alvariño
Article

Summary

Tunnelling contributions to the reactive probability of both early- and late-barrier reactions are investigated. For the first class of reactions a new type of tunnelling effect taking place at high translational energy is discussed. For both reactions relations linking tunnelling features to the type of energy promoting reactivity are discussed with regard to the barrier location.

PACS. 82.30

Specific chemical reactions reaction mechanisms 

Riassunto

Si esamina il contributo dell'effetto tunnel alla probabilità reattiva per reazioni con barriera anticipata e con barriera posticipata. Per la prima classe di reazioni si discute un nuovo tipo di effetto tunnel che ha luogo ad alte energie traslazionali. Per ambedue i tipi di reazione si discute il nesso esistente tra le caratteristiche dell'effetto tunnel e la forma di energia che è capace di favorire la reazione in relazione alla posizione della barriera.

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. (1).
    D. G. Truhlar andJ. T. Muckerman:Reactive Scattering Cross Section. III:Quasi-Classical and Semiclassical Methods in Atom Molecule Collision Theory, edited byR. B. Bernstein (Plenum Press, New York, N. Y., 1979);J. N. L. Connor:Comput. Phys. Commun.,17, 117 (1979).Google Scholar
  2. (2).
    S. L. Latham, J. F. McNutt, R. E. Wyatt andM. J. Redmon:J. Chem. Phys.,69, 3746 (1968);C. L. Shoemaker andR. E. Wyatt:J. Chem. Phys.,77, 4982 (1982);B. C. Garrett andD. C. Truhlar:J. Phys. Chem.,86, 64 (1982);Chem. Phys. Lett.,92, 64 (1982);V. Aquilanti, S. Cavalli, G. Grossi andA. Laganà:J. Mol. Struct.,93, 271 (1983).CrossRefADSGoogle Scholar
  3. (3).
    V. Aquilanti, S. Cavalli andA. Laganà:Chem. Phys. Lett.,93, 179 (1982).CrossRefADSGoogle Scholar
  4. (4).
    A. Laganà, M. L. Hernandez andJ. M. Alvariño:Chem. Phys. Lett.,106, 41 (1984);J. Mol. Struct.,107, 87 (1984).CrossRefADSGoogle Scholar
  5. (5).
    E. P. Wigner:Z. Phys. Chem. Ab. B,19, 203 (1932);R. A. Marcus andM. E. Coltrin:J. Chem. Phys.,67, 2609 (1977).MATHGoogle Scholar
  6. (6).
    B. C. Garrett andD. G. Truhlar:J. Phys. Chem.,83, 200, 1079 (1979);B. C. Garrett:Newsl. Heavy Part. Dyn.,3, 23 (1982).CrossRefGoogle Scholar
  7. (7).
    B. C. Garrett, D. G. Truhlar, R. S. Grew andA. W. Magnusson:J. Chem. Phys.,73, 1721 (1980);D. K. Bondi, D. C. Clary, J. N. L. Connor, B. C. Garrett andD. G. Truhlar:J. Chem. Phys.,76, 4986 (1982);D. K. Bondi, J. N. L. Connor, B. C. Garrett andD. G. Truhlar:J. Chem. Phys.,78, 5981 (1983);B. C. Garrett, D. G. Truhlar, A. F. Wagner andT. H. Dunning, jr.:J. Chem. Phys.,78, 4400 (1983).CrossRefADSGoogle Scholar
  8. (8).
    D. J. Koury, V. Khare andM. Baer:J. Chem. Phys.,75, 1179 (1981);M. Baer:Adv. Chem. Phys.,49, 191 (1981);M. Baer, J. Jellinek andD. J. Kouri:J. Chem. Phys.,78, 2962 (1983).CrossRefADSGoogle Scholar
  9. (9).
    J. M. Bowman andK. T. Lee:J. Chem. Phys.,72, 507 (1980).CrossRefGoogle Scholar
  10. (10).
    R. B. Walker andE. F. Hayes:J. Phys. Chem.,87, 1255 (1983);R. B. Walker, N. C. Blais andD. G. Truhlar:J. Chem. Phys.,80, 246 (1984);J. M. Bowman, G. Z. Ju andK. T. Lee:J. Chem. Phys.,75, 5199 (1981);J. M. Bowman, G. Z. Ju andK. T. Lee:J. Phys. Chem.,86, 2232 (1982);J. M. Bowman, K. T. Lee andG. Z. Ju:Chem. Phys. Lett.,86, 384 (1982);K. T. Lee andJ. M. Bowman:J. Phys. Chem.,86, 2289 (1982);J. M. Bowman andK. T. Lee:Chem. Phys. Lett.,94, 363 (1983).CrossRefGoogle Scholar
  11. (11).
    B. A. Hodgson andJ. C. Polanyi:J. Chem. Phys.,55, 4745 (1974);D. S. Perry J. C. Polanyi andC. W. Wilson:Chem. Phys.,3, 317 (1974).CrossRefADSGoogle Scholar
  12. (12).
    D. G. Fleming, D. M. Garner andR. J. Mikula:Hyperfine Interactions,8, 337 (1981).CrossRefADSGoogle Scholar
  13. (13).
    A. Laganà:Gazz. Chim. Ital.,11, 459 (1981).Google Scholar
  14. (14).
    J. M. Alvariño andA. Laganà:J. Mol. Struct.,93, 271 (1983).CrossRefADSGoogle Scholar
  15. (15).
    J. C. Light andR. B. Walker:J. Chem. Phys.,65, 4272 (1976);E. B. Stechel, R. B. Walker andJ. C. Light:J. Chem. Phys.,69, 3518 (1978).CrossRefADSGoogle Scholar
  16. (16).
    J. N. L. Connor, W. Jakubetz, J. Manz andJ. C. Whitehead:J. Chem. Phys.,72, 6209 (1980).CrossRefADSGoogle Scholar
  17. (17).
    J. N. L. Connor, W. Jakubetz, A. Laganà, J. Manz andJ. C. Whitehead:Chem. Phys.,65, 29 (1982).CrossRefGoogle Scholar
  18. (18).
    S. Carter andJ. N. Murrell:Mol. Phys.,41, 567 (1980).CrossRefADSGoogle Scholar
  19. (19).
    M. M. L. Chen andH. F. Schaefer III:J. Chem. Phys.,72, 4376 (1980).CrossRefADSGoogle Scholar
  20. (20).
    J. N. L. Connor, W. Jakubetz andA. Laganà:J. Phys. Chem.,83, 73 (1979).CrossRefGoogle Scholar
  21. (21).
    J. M. Launay andM. Le Dournef:J. Phys. B,15, L455 (1982).CrossRefADSGoogle Scholar
  22. (22).
    Y. Zeiri, M. Shapiro andE. Pollak:Chem. Phys.,60, 238 (1981).CrossRefGoogle Scholar
  23. (23).
    J. N. L. Connor andA. Laganà:Mol. Phys.,38, 657 (1979).CrossRefADSGoogle Scholar
  24. (24).
    F. Fontanella andA. Pasquali:Calcolo Numerico (Pitagora Ed., Bologna, 1982).Google Scholar
  25. (25).
    M. L. Hernandez: Ph.D. Thesis, Bilbao (1985).Google Scholar
  26. (26).
    D. G. Truhlar:Int. J. Quantum Chem. Symp.,10, 239 (1976);J. N. L. Connor andA. Laganà:Comput. Phys. Commun.,17, 145 (1979).CrossRefGoogle Scholar
  27. (27).
    A. Kuppermann: inTheoretical Chemistry: Advances and Perspectives, Vol. 6A (Academic Press, New York, N. Y., 1981).Google Scholar
  28. (28).
    P. Pechukas: inDynamics of Molecular Collisions, part B, edited byW. H. Miller Plenum Press, New York, N. Y., 1976);E. Pollak andE. Peckuhas:J. Chem. Phys.,70, 325 (1979);E. Pollak:Chem. Phys. Lett.,91, 27 (1982).Google Scholar
  29. (29).
    J. N. L. Connor, W. Jakubetz andJ. Manz:Chem. Phys.,28, 219 (1984).CrossRefGoogle Scholar

Copyright information

© Societá Italiana di Fisica 1985

Authors and Affiliations

  • A. Laganà
    • 1
  • E. Garcia
    • 1
  • M. L. Hernandez
    • 2
    • 3
  • J. M. Alvariño
    • 2
    • 3
  1. 1.Dipartimento di Chimica dell' UniversitàPerugiaItalia
  2. 2.Departamento de Quimica Fisica, Facultad de CienciasUniversidad del Pais VascoBilbaoEspaña
  3. 3.Departamento de Quimica Fisica, Facultad de QuimicaUniversidad de SalamancaSalamancaEspaña

Personalised recommendations