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Ionization potentials of hypervalent LinC (2 ≤ n ≤ 10)

  • P. LievensEmail author
  • P. Thoen
  • S. Bouckaert
  • W. Bouwen
  • F. Vanhoutte
  • H. Weidele
  • R. E. Silverans
  • A. Navarro-Vázquez
  • P. R. v. Schleyer
Conference paper

Abstract

We report on a combined experimental and theoretical. investigation of the ionization potentials of small lithium monocarbide clusters. The clusters were produced by a laser vaporization source, and their ionization potentials were measured by threshold photoionization spectroscopy. The structures of the smaller clusters (n ≤ 8), which are governed by hypervalent (hyperlithiated) bonding mechanisms, were calculated by means of density functional theory. Vertical and adiabatic ionization potentials were computed and compared with the experimental data.

PACS

36.40.Vz Optical properties of clusters 33.80.Eh Autoionization, photoionization, and photodetachment 

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Copyright information

© Springer-Verlag Italia 1999

Authors and Affiliations

  • P. Lievens
    • 1
    Email author
  • P. Thoen
    • 1
  • S. Bouckaert
    • 1
  • W. Bouwen
    • 1
  • F. Vanhoutte
    • 1
  • H. Weidele
    • 1
  • R. E. Silverans
    • 1
  • A. Navarro-Vázquez
    • 2
  • P. R. v. Schleyer
    • 2
    • 3
  1. 1.Laboratorium voor Vaste-Stoffysica en MagnetismeLeuvenBelgium
  2. 2.Computer Chemistry Center, Institut für Organische ChemieUniversität Erlangen-NürnbergErlangenGermany
  3. 3.Computer Chemistry AnnexUniversity of GeorgiaAthensUSA

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