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FSGO calculations of octahydrotriborate anion and tetraborane

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Abstract

The FSGO quantum mechanical model is used to makeab initio calculations of the geometrical structures and energies of the ground state configurations of the octahydrotriborate anion, B3H −8 , and tetraborane, B4H10. Both molecules are assumed to belong to theC 2v symmetry point group during these computations. Comparisons with available experimental data show good agreement. B4H10 calculations are also compared with results of SCF calculations.

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References

  1. Frost,A.A.: J. Chem. Phys.47, 3707 (1967)

    CAS  Google Scholar 

  2. Christoffersen,R.E., Genson,D.W., Maggiora,G.M.: J. Chem. Phys.54, 239 (1971)

    Article  CAS  Google Scholar 

  3. Erickson,W.D., Linnett,J.W.: J. Chem. Soc. Faraday Trans. II,68, 693 (1972)

    Google Scholar 

  4. Erickson,W.D., Linnett,J.W.: Proc. Roy. Soc. (London) A331, 347 (1972)

    CAS  Google Scholar 

  5. Hough,W.V., Edwards,L.J., McElroy,A.D.: J. Am. Chem. Soc.78, 689 (1956)

    Article  CAS  Google Scholar 

  6. Hough,W.V., Edwards,L.J., McElroy,A.D.: J. Am. Chem. Soc.80, 1828 (1957)

    Google Scholar 

  7. Graybill,B.M., Ruff,J.K., Hawthorne,M.F.: J. Am. Chem. Soc.83, 2669 (1961)

    CAS  Google Scholar 

  8. Parry,R.W., Edwards,L.I.: J. Am. Chem. Soc.81, 3554 (1959)

    Article  CAS  Google Scholar 

  9. Eaton,G.R., Lipscomb,W.N.: NMR studies of boron hydrides and related compounds, p. 53–61. New York: Benjamin 1969; Stevenson,P.E.: J. Am. Chem. Soc.95, 54 (1973)

    Google Scholar 

  10. Boron, Metallo-Boron Compounds and Boranes, Adams,R.M. Ed., in Chapter 7, also written by Adams. New York: Interscience Publishers 1964

    Google Scholar 

  11. Peters,C.R., Nordman,C.E.: J. Am. Chem. Soc.82, 5758 (1960)

    CAS  Google Scholar 

  12. Frost,A.A.: Theoret. Chim. Acta (Berl.)18, 156 (1970)

    Article  CAS  Google Scholar 

  13. Same as Ref. 9, especially pages 64–66

    Google Scholar 

  14. Jones,M.E., Hedberg, R., Schomaker, V.: J. Am. Chem. Soc.75, 4116 (1953)

    CAS  Google Scholar 

  15. Nordman,C.E., Lipscomb,W.N.: J. Am. Chem. Soc.75, 4116 (1953)

    Article  CAS  Google Scholar 

  16. Switkes,E., Epstein,I.R., Tossell,J.A., Stevens,R.M., Lipscomb,W.N.: J. Am. Chem. Soc.92, 3837 (1970)

    CAS  Google Scholar 

  17. Fehlner,T.P., Koski,W.S.: J. Am. Chem. Soc.85, 1905 (1963)

    Article  CAS  Google Scholar 

  18. Switkes,E., Lipscomb,W.N., Newton,M.D.: J. Am. Chem. Soc.92, 3847 (1970)

    CAS  Google Scholar 

  19. Weaver,J.R., Heitsch,C.W., Parry,R.W.: J. Chem. Phys.30, 1075 (1959)

    Article  CAS  Google Scholar 

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Authors and Affiliations

  1. Department of Chemistry, Northwestern University, Evanston, Illinois, USA

    Jozef Bicerano & Arthur A. Frost

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  1. Jozef Bicerano
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  2. Arthur A. Frost
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Bicerano, J., Frost, A.A. FSGO calculations of octahydrotriborate anion and tetraborane. Theoret. Chim. Acta 35, 81–87 (1974). https://doi.org/10.1007/BF02394560

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