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Crystal and molecular structure and quantum-chemical calculation for the stable β-modification of 1,2,3-propanetriol trinitrate C3H5(ONO2)3

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Bulletin of the Academy of Sciences of the USSR, Division of chemical science Aims and scope

Conclusions

  1. 1.

    We carried out an x-ray diffraction structural study of the stable β-modification of 1,2,3-propanetriol trinitrate and showed that the bond lengths and bond angles in the CONO2 groups have ordinary values. The distortion of the tetrahedral coordination of the carbon atoms was attributed to manifestation of the d effect.

  2. 2.

    The electronic structure of this compound was calculated by the CNDO/2 method.

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Literature cited

  1. A. P. Cox and S. Waring, Trans. Faraday Soc.,67, 3441 (1971).

    Google Scholar 

  2. D. G. Scorggin, J. M. Riveros, and E. B. Wilson, J. Chem. Phys.,60, 1376 (1974).

    Google Scholar 

  3. Yu. V. Skorbov, N. I. Safronov, and Yu. Ya. Kharitonov, Izv. Vyssh. Uchebn. Zaved. Khim. Khim. Tekhnol.,24, No. 8, 954 (1981).

    Google Scholar 

  4. H. H. Cady and A. C. Larson, Acta Crystallogr.,B31, 1864 (1975).

    Google Scholar 

  5. H. Hibbert, Z. Schiess and Sprengstoffw.,9, 126 (1914).

    Google Scholar 

  6. L. J. De Kreuk, Rec. Trav. Chim.,61, 819 (1942).

    Google Scholar 

  7. R. G. Gerr, A. I. Yanovskii, and Yu. T. Struchkov, Kristallograifya,28, 1029 (1983).

    Google Scholar 

  8. J. Halfpenny and R. W. H. Small, Acta Crystallogr.,B34, 3452 (1978).

    Google Scholar 

  9. Yu. L. Slovokhotov, T. V. Timofeeva, M. Yu. Antipin, and Yu. T. Struchkov, J. Mol. Struct.,112, 127 (1984).

    Google Scholar 

  10. J. O. Williams, J. N. Scarsdale, L. Schafer, and N. I. Geise, J. Mol. Struct.,76, 11 (1981).

    Google Scholar 

  11. R. J. Gillespie, Molecular Geometry, Van Nostrand-Reinhold (1972).

  12. W. B. Dixon and E. B. Wilson, J. Chem. Phys.,35, 191 (1961).

    Google Scholar 

  13. J. A. Pople and D. L. Beveridge, in: Approximate Molecular Orbital Theory, McGraw-Hill, New York (1970).

    Google Scholar 

  14. A. Delpuech and J. Chervill, Propellants Explos.,4, 121 (1979).

    Google Scholar 

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Authors and Affiliations

  1. A. N. Nesmeyanov Institute of Heteroorganic Compounds, Academy of Sciences of the USSR, Moscow

    I. A. Litvinov, Yu. T. Struchkov, B. A. Arbuzov, N. A. Makarova & É. T. Mukmenev

  2. D. I. Mendeleev Moscow Chemical Engineering Institute, USSR

    I. A. Litvinov, Yu. T. Struchkov, B. A. Arbuzov, N. A. Makarova & É. T. Mukmenev

Authors
  1. I. A. Litvinov
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  2. Yu. T. Struchkov
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  3. B. A. Arbuzov
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  4. N. A. Makarova
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  5. É. T. Mukmenev
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Additional information

Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 7, pp. 1558–1563, July, 1985.

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Litvinov, I.A., Struchkov, Y.T., Arbuzov, B.A. et al. Crystal and molecular structure and quantum-chemical calculation for the stable β-modification of 1,2,3-propanetriol trinitrate C3H5(ONO2)3 . Russ Chem Bull 34, 1425–1429 (1985). https://doi.org/10.1007/BF00950143

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  • DOI: https://doi.org/10.1007/BF00950143

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