Steric effects in mono- and polynitroalkane molecules |
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Authors: | T S Pivina E I Gritsaev B B Smirnov V A Shlyapochnikov S S Novikov |
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Institution: | (1) N. D. Zelinskii Institite of Organic Chemistry, Academy of Sciences of the USSR, Moscow |
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Abstract: | 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.Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 1, pp. 182–184, January, 1977. |
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