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Zero-field splittings in aromatic triplet states

III. Naphthalene, including accurate two, three and four centre integrals

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Abstract

The zero-field splitting parametersD andE have been calculated for naphthalene using T.B.M. and I. R. M. wave functions, and accurate values of all significant two, three and four centre dipolar interaction integrals. Agreement with experiment is improved in the case ofE, but is less satisfactory forD.

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References

  1. Thomson, C.: Mol. Physics10, 309 (1966).

    Article  CAS  Google Scholar 

  2. — Mol. Physics11, 197 (1966) - this paper is referred to as 11.

    Article  CAS  Google Scholar 

  3. Ruedenberg, K.: J. chem. Physics34, 1861, 1878, 1884, 1892, 1897, 1907 (1961).

    Article  CAS  Google Scholar 

  4. Hummell, R. L., and K. Ruedenberg: J. physic. Chem.66, 2334 (1962).

    Article  Google Scholar 

  5. Chiu, Y. N.: J. chem. Physics39, 2749 (1963).

    Article  Google Scholar 

  6. Kern, C. W., and M. Karplus: J. chem. Physics43, 415 (1965).

    Article  CAS  Google Scholar 

  7. Godfrey, M., C. W. Kern, and M. Karplus: J. chem. Physics44, 4459 (1965).

    Article  Google Scholar 

  8. Capello, D., and A. Pullman: Theoret. chim. Acta (Berl.)8, 383 (1967).

    Article  CAS  Google Scholar 

  9. Van der Waals, J. H., and G. Ter Maten: Mol. Physics8, 301 (1964).

    Article  Google Scholar 

  10. Clementi, E.: J. chem. Physics40, 1944 (1964).

    Article  CAS  Google Scholar 

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Authors and Affiliations

  1. Department of Chemistry, University of St. Andrews, St. Andrews, Fife, Scotland

    Colin Thomson

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  1. Colin Thomson
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Thomson, C. Zero-field splittings in aromatic triplet states. Theoret. Chim. Acta 11, 165–166 (1968). https://doi.org/10.1007/BF01184324

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  • DOI: https://doi.org/10.1007/BF01184324

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