Skip to main content
SpringerLink
Log in

Electronic structure of unstable intermediates

V. The electronic structure of the closed-shell intermediate HBO

  • Commentationes
  • Published:
Theoretica chimica acta Aims and scope Submit manuscript

    We’re sorry, something doesn't seem to be working properly.

    Please try refreshing the page. If that doesn't work, please contact support so we can address the problem.

Abstract

The geometry of the linear molecule HBO, has been investigated within the restricted Hartree-Fock LCAO-MO-SCF approximation. The calculated bond lengths for the near Hartree-Fock calculation were R(H-B)=2.1913 bohr, R(B-O)=2.2284 bohr. Several one electron properties have been calculated for the minimum energy configuration.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. Porter,R.F., Lory,E.R.: J. Am. Chem. Soc. 93, 6301 (1971)

    Google Scholar 

  2. Schaefer,H.F.III: Electronic structure of atoms and molecules. New York: Addison-Wesley 1972

    Google Scholar 

  3. Thomson,C.: J. Chem. Phys. 58, 216 (1973)

    Google Scholar 

  4. Thomson,C.: J. Chem. Phys. 58, 841 (1973)

    Google Scholar 

  5. Thomson,C., Wishart,B.J.: Theoret. Chim. Acta (Berl.) 31, 347 (1973)

    Google Scholar 

  6. Symons,M.C.R., Wardale,H.W.: Chem. Commun. 1483 (1968)

  7. Claxton,T.A.: Trans. Faraday Soc. 67, 897 (1971)

    Google Scholar 

  8. McLean,A.D.: Prof. Conf. Potential Energy Surfaces in Chem., IBM Tech. Rept. RA 18 (1971)

  9. McLean,A.D., Yoshimine,M.: IBM J. Res. Develop. Suppl. 12, 1 (1968)

    Google Scholar 

  10. McLean,A.D., Yoshimine,M.: Intern. J. Quantum Chem. S 1, 313 (1967)

    Google Scholar 

  11. Roos,B., Salez,E., Veillard,A., Clementi,E.: IBM Tech. Rept. RJ 518 (1968)

  12. Clementi,E.: IBM J. Res. Develop. Suppl. 9, 2 (1965)

    Google Scholar 

  13. Mulliken,R.S.: J. Chem. Phys. 23, 1833 (1955)

    Google Scholar 

  14. McLean,A.D., Yoshimine,M.: J. Chem. Phys. 45, 3676 (1966)

    Google Scholar 

  15. McLean,A.D., Yoshimine,M.: J. Chem. Phys. 47, 3256 (1967)

    Google Scholar 

  16. Ramsey,N.F..: Molecular beams, p. 172. New York: O.U.P. 1956

    Google Scholar 

Download references

Author information

Authors and Affiliations

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

    Colin Thomson & Brian J. Wishart

Authors
  1. Colin Thomson
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Brian J. Wishart
    View author publications

    You can also search for this author in PubMed Google Scholar

Rights and permissions

Reprints and permissions

About this article

Cite this article

Thomson, C., Wishart, B.J. Electronic structure of unstable intermediates. Theoret. Chim. Acta 35, 267–271 (1974). https://doi.org/10.1007/BF00546912

Download citation

  • Received:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF00546912

Key words

Search

Navigation