Home / Publications / A theoretical study of the formation and destruction of the aci-forms of nitromethane and dinitromethane

A theoretical study of the formation and destruction of the aci-forms of nitromethane and dinitromethane

Grigorii Mikhailovich Khrapkovskii 1
Grigorii Mikhailovich Khrapkovskii
, 
Alexander Georgievich Shamov 1
Alexander Georgievich Shamov
, 
Grigory Aleksandrovich Shamov 1
Grigory Aleksandrovich Shamov
, 
Vladimir Aleksandrovich Shlyapochnikov 2
Vladimir Aleksandrovich Shlyapochnikov
10.1070/MC1997v007n05ABEH000825
Published 1997-10-30
Communication , Volume 7, Issue 5, 169-171
12
Share
Cite this
GOST
 | 
Cite this
GOST Copy
Khrapkovskii G. M. et al. A theoretical study of the formation and destruction of the aci-forms of nitromethane and dinitromethane // Mendeleev Communications. 1997. Vol. 7. No. 5. pp. 169-171.
GOST all authors (up to 50) Copy
Khrapkovskii G. M., Shamov A. G., Shamov G. A., Shlyapochnikov V. A. A theoretical study of the formation and destruction of the aci-forms of nitromethane and dinitromethane // Mendeleev Communications. 1997. Vol. 7. No. 5. pp. 169-171.
RIS
 | 
Cite this
RIS Copy
TY - JOUR
DO - 10.1070/MC1997v007n05ABEH000825
UR - https://mendcomm.colab.ws/publications/10.1070/MC1997v007n05ABEH000825
TI - A theoretical study of the formation and destruction of the aci-forms of nitromethane and dinitromethane
T2 - Mendeleev Communications
AU - Khrapkovskii, Grigorii Mikhailovich
AU - Shamov, Alexander Georgievich
AU - Shamov, Grigory Aleksandrovich
AU - Shlyapochnikov, Vladimir Aleksandrovich
PY - 1997
DA - 1997/10/30
PB - Mendeleev Communications
SP - 169-171
IS - 5
VL - 7
ER -
BibTex
 | 
Cite this
BibTex (up to 50 authors) Copy
@article{1997_Khrapkovskii,
author = {Grigorii Mikhailovich Khrapkovskii and Alexander Georgievich Shamov and Grigory Aleksandrovich Shamov and Vladimir Aleksandrovich Shlyapochnikov},
title = {A theoretical study of the formation and destruction of the aci-forms of nitromethane and dinitromethane},
journal = {Mendeleev Communications},
year = {1997},
volume = {7},
publisher = {Mendeleev Communications},
month = {Oct},
url = {https://mendcomm.colab.ws/publications/10.1070/MC1997v007n05ABEH000825},
number = {5},
pages = {169--171},
doi = {10.1070/MC1997v007n05ABEH000825}
}
MLA
Cite this
MLA Copy
Khrapkovskii, Grigorii Mikhailovich, et al. “A theoretical study of the formation and destruction of the aci-forms of nitromethane and dinitromethane.” Mendeleev Communications, vol. 7, no. 5, Oct. 1997, pp. 169-171. https://mendcomm.colab.ws/publications/10.1070/MC1997v007n05ABEH000825.

Abstract

A quantum-chemical study of the dehydration mechanism of CH3NO2 and CH2(NO2)2 molecules has shown that a water molecule eliminates from the respective aci-forms, formation of the latter being the limiting step of the whole process.

References

1.
10.1070/MC1997v007n05ABEH000825_bib1
Novikov
Khimiya alifaticheskikh i alitsiklicheskikh nitrosoedinenii (Chemistry of Aliphatic and Aromatic Nitro Compounds), 1974
2.
10.1070/MC1997v007n05ABEH000825_bib2
1972
3.
Thermal decomposition of aliphatic nitro-compounds
Nazin G.M., Manelis G.B.
Russian Chemical Reviews, 1994
4.
10.1070/MC1997v007n05ABEH000825_bib4
Manelis
Termicheskoe razlozhenie i gorenie vzryvnykh veshchestv (Thermal Decomposition and Combustion of Explosives), 1996
5.
10.1070/MC1997v007n05ABEH000825_bib5
Khrapkovskii
Vliyanie molekulyarnoi struktury na kineticheskie parametry monomolekulyarnogo raspada C- i O-nitrosoedinenii (The Influence of Molecular Structure on the Kinetic Parameters of the Unimolecular Decomposition of C- and O-Nitro Compounds), 1997
6.
Importance of enolate anions in the high‐pressure kinetics of nitroalkanes and nitroaromatics
Engelke R., Earl W.L., Rohlfing C.M.
International Journal of Chemical Kinetics, 1986
8.
10.1070/MC1997v007n05ABEH000825_bib8
Khrapkovskii
Dokl. Akad. Nauk SSSR, 1988
10.
10.1070/MC1997v007n05ABEH000825_bib10
Dunning
Methods of Electronic Struct. Theory, 1977
11.
Note on an Approximation Treatment for Many-Electron Systems
Møller C., Plesset M.S.
Physical Review A, 1934
12.
General atomic and molecular electronic structure system
Schmidt M.W., Baldridge K.K., Boatz J.A., Elbert S.T., Gordon M.S., Jensen J.H., Koseki S., Matsunaga N., Nguyen K.A., Su S., Windus T.L., Dupuis M., Montgomery J.A.
Journal of Computational Chemistry, 1993
13.
MOPAC: A semiempirical molecular orbital program
Stewart J.J.
Journal of Computer-Aided Molecular Design, 1990
14.
The Molecular Geometry of Nitro-compounds
Sadova N.I., Vilkov L.V.
Russian Chemical Reviews, 1982
15.
10.1070/MC1997v007n05ABEH000825_bib15
Khrapkovskii
Izv. Akad. Nauk, Ser. Khim., 1996
16.
G. M. Khrapkovskii, A. G. Shamov, G. A. Shamov and V. A. Shlyapochnikov, Zh. Org. Khim., 1997 (in press).
17.
10.1070/MC1997v007n05ABEH000825_bib17
Lebedev
Termokhimiya nitrosoedinenii (Thermochemistry of Nitro Compounds), 1970