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The European Physical Journal D

, Volume 43, Issue 1–3, pp 23–26 | Cite as

Photodissociation spectroscopy of the chromium trimer ion

  • T. Majima
  • K. Tono
  • A. Terasaki
  • Y. Kawazoe
  • T. Kondow
Structure and Thermodynamics of Free Clusters

Abstract.

The electronic and geometric structures and photodissociation dynamics of the chromium trimer ion, Cr3 +, were investigated by photodissociation spectroscopy in the photon-energy range from 1.32 to 5.52 eV. The branching fractions of the product ions, Cr+ and Cr2 +, exhibit stepwise changes at the threshold energies for dissociation into Cr++Cr2, Cr+Cr2 +, Cr++2Cr, and Cr*+Cr2 +. It is noted that Cr2 + is produced even above the threshold for atomization; the excess energy is redistributed to produce a fragment atom, Cr*, in an excited state. The photodissociation action spectrum is well explained by a mixture of simulated spectra for two nearly-degenerate structural isomers identified by density functional calculations: those having a metastable C2v structure and the most stable structure slightly distorted from the C2v one. The barrier height between the two isomers which is lower than the zero-point energy suggests that Cr3 + has an intrinsically floppy structure.

PACS.

36.40.Mr Spectroscopy and geometrical structure of clusters 36.40.Qv Stability and fragmentation of clusters 36.40.Cg Electronic and magnetic properties of clusters 

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References

  1. D.L. Michalopoulos, M.E. Geusic, S.G. Hansen, D.E. Powers, R.E. Smalley J. Phys. Chem. 86, 3914 (1982) Google Scholar
  2. V.E. Bondybey, J.H. English, Chem. Phys. Lett. 94, 443 (1983) CrossRefADSGoogle Scholar
  3. M.M. Goodgame, W.A. Goddard III, Phys. Rev. Lett. 54, 661 (1985) CrossRefADSGoogle Scholar
  4. N. Desmarais, F.A. Reuse, S.N. Khanna, J. Chem. Phys. 112, 5576 (2000) CrossRefADSGoogle Scholar
  5. G.L. Gutsev, C.W. Bauschlicher Jr, J. Phys. Chem. A 107, 4755 (2003) CrossRefGoogle Scholar
  6. N.E. Schultz, Y Zhao, D.G. Truhlar, J. Phys. Chem. A 109, 4388 (2005) CrossRefGoogle Scholar
  7. H. Cheng, L.S. Wang, Phys. Rev. Lett. 77, 51 (1996) CrossRefADSGoogle Scholar
  8. A. Terasaki, S. Minemoto, T. Kondow, J. Chem. Phys. 117, 7520 (2002) CrossRefADSGoogle Scholar
  9. K. Tono, A. Terasaki, T. Ohta, T. Kondow, J. Chem. Phys. 123, 174314 (2005) CrossRefADSGoogle Scholar
  10. C.-X. Su, P.B. Armentrout, J. Chem. Phys. 99, 6506 (1993) CrossRefADSGoogle Scholar
  11. T. Majima, K. Tono, A. Terasaki, T. Kondow, unpublished Google Scholar
  12. C.-X. Su, D.A. Hales, P.B. Armentrout, Chem. Phys. Lett. 201, 199 (1993) CrossRefADSGoogle Scholar
  13. M.J. Frisch et al., Gaussian 03, Revision B.04, Gaussian, Inc., Pittsburgh PA, 2003 Google Scholar
  14. A.D. Becke, Phys. Rev. A 38, 3098 (1988) CrossRefADSGoogle Scholar
  15. C. Lee, W. Yang, R.G. Parr, Phys. Rev. B 37, 785 (1988) CrossRefADSGoogle Scholar
  16. S. Yanagisawa, T. Tsuneda, K. Hirao, J. Chem. Phys. 112, 545 (2000) CrossRefADSGoogle Scholar
  17. C.J. Barden, J.C. Rienstra-Kiracofe, H.F. Schaefer III, J. Chem. Phys. 113, 690 (2000) CrossRefADSGoogle Scholar
  18. R.E. Stratmann, G.E. Scuseria, M.J. Frisch, J. Chem. Phys. 109, 8218 (1998) CrossRefADSGoogle Scholar
  19. R. Bauernschmitt, R. Ahlrichs, Chem. Phys. Lett. 256, 454 (1996) CrossRefGoogle Scholar
  20. M.E. Casida, C. Jamorski, K.C. Casida, D.R. Salahub, J. Chem. Phys. 108, 4439 (1998) CrossRefADSGoogle Scholar
  21. K.E. Edgecombe, A.D. Becke, Chem. Phys. Lett. 244, 427 (1995) CrossRefADSGoogle Scholar
  22. S.M. Casey, D.G. Leopold, J. Phys. Chem. 97, 816 (1993) CrossRefGoogle Scholar

Copyright information

© EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2007

Authors and Affiliations

  • T. Majima
    • 1
  • K. Tono
    • 1
  • A. Terasaki
    • 2
  • Y. Kawazoe
    • 3
  • T. Kondow
    • 2
  1. 1.East Tokyo Laboratory, Genesis Research InstituteChibaJapan
  2. 2.Cluster Research Laboratory, Toyota Technological Institute, in East Tokyo Laboratory, Genesis Research InstituteChibaJapan
  3. 3.Institute for Materials Research, Tohoku UniversitySendaiJapan

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