Conclusions
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1.
The electronic parameters of some hydrazine and nitramine molecules were determined and a comparison was made with the parameters of C-nitro compounds.
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2.
The atomization enthalpies of hydrazines and nitramines are satisfactorily estimated by CNDO/2 calculations using the set of parameters given in [1].
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3.
The enthalpy of the NN bonds is smaller than that of the CN bonds.
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4.
The absolute values of the charges on the atoms of the nitro groups in N-nitro compounds are higher than in C-nitro compounds.
Literature cited
A. V. Belik and V. A. Shlyapochnikov, Izv. Akad. Nauk SSSR, Ser. Khim., 1977, No. 12.
J. A. Pople, D. P. Santry, and G. A. Segal, J. Chem. Phys.,43, S129 (1965).
A. V. Belik, R. Z. Zakharyan, and V. A. Shlyapochnikov, Izv. Akad. Nauk SSSR, Ser. Khim.,1976, 1714.
Y. Morino, T. Iijima, and Y. Murata, Bull. Chem. Soc. Japan,33, 46 (1960); R. P. Lattimer and M. D. Harmony, J. Chem. Phys., 53, 4575 (1970).
O. A. Osipov, V. I. Minkin, and A. D. Garnovskii, Handbook of Dipole Moments [in Russian], Vysshaya Shkola (1971).
H. Fisher and H. Kollmar, Theor. Chim. Acta,16, 163 (1970).
V. A. Kireev, Practical Calculation Methods in the Kinetics of Chemical Reactions [in Russian], Khimiya (1975); V. P. Glushko et al., (editors), Heat Constants of Compounds [in Russian], VINITI, Moscow (1968).
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Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 11, pp. 2608–2610, November, 1977.
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Belik, A.V., Bakeeva, S.K. & Shlyapochnikov, V.A. Electronic structure of hydrazines and nitramines. Russ Chem Bull 26, 2415–2416 (1977). https://doi.org/10.1007/BF00958744
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DOI: https://doi.org/10.1007/BF00958744