Conclusions
The equilibrium configurations, strain energies, and atomization enthalpies were calculated for a number of mono- and polynitroalkane molecules. A steric hindrance criterion was derived, which could be one of the parameters that characterize the stability. The steric effects, caused by nitro groups, increase in a nonlinear manner with increase in the number of nitro groups in the molecule and elongation of the carbon skeleton.
Literature cited
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Yu. A. Lebedev, E. A. Miroshnichenko, and Yu. K. Knobel, Thermochemistry of Nitro Compounds [in Russian], Nauka (1970).
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Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 1, pp. 182–184, January, 1977.
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Pivina, T.S., Gritsaev, E.I., Smirnov, B.B. et al. Steric effects in mono- and polynitroalkane molecules. Russ Chem Bull 26, 158–160 (1977). https://doi.org/10.1007/BF00921518
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DOI: https://doi.org/10.1007/BF00921518