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Theoretica chimica acta

, Volume 8, Issue 5, pp 361–366 | Cite as

SCF MO calculations of ultraviolet electronic spectra of azanaphtalenes with the variable Β approximation

  • Bernard Tinland
Commentationes

Abstract

The SCF MO method in the variable Β approximation has been applied to some azanaphtalenes. The transition energies and bond lengths of these molecules have been calculated. The results are in satisfactory agreement with experiment.

Keywords

Physical Chemistry Inorganic Chemistry Organic Chemistry Bond Length Electronic Spectrum 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Résumé

Nous avons appliqué la méthode SCF MO dans l'approximation des Β variables à quelques azanaphtalènes et calculé les énergies de transition et les longueurs de liaison de ces molécules. Les résultats sont en accord satisfaisant avec l'expérience.

Zusammenfassung

Das SCF-Verfahren wurde in Form der Β-Variationsmethode nach nishimoto und Forter auf einige Azanaphthaline angewendet. Die berechneten übergangsenergien und BindungslÄngen stimmen in befriedigender Weise mit dem Experiment überein.

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References

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    D.M.S.: UV atlas of organic compounds. London: Butterworths 1966.Google Scholar
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    Favini, G., I. Vandoni und M. Simonetta: Theoret. chim. Acta 3, 45 (1965).Google Scholar
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    Mulliken, R. S.: J. chem. Physics 7, 14 (1939).Google Scholar
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    Nishimoto, K., u. L. S. Forster: Theoret. chim. Aota 3, 407 (1965).Google Scholar
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    — —: Theoret. chim. Acta 4, 155 (1966).Google Scholar
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    Watanabe, K., T. Nakayama, and J. Mattl: J. Quant. Spectroscopy Radiative Transfer 2, 369 (1959).Google Scholar

Copyright information

© Springer-Verlag 1967

Authors and Affiliations

  • Bernard Tinland
    • 1
  1. 1.Section de Recherches de Mécanique Ondulatoire Appliquée, Faculté des Sciences de LyonVilleurbanneFrance

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