Abstract
Photoreduction of nitro compounds is accompanied by formation of various radical products that can react with the starting nitro compound, thus causing deviation of the decomposition kinetics from the first-order kinetics with respect to the nitro compound. The results of quantum chemical modeling of the reactions of nitro compounds with radicals and the pathways of further transformations of radical adducts formed in the reactions are presented.
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References
J. S. Brinen and B. Singh, J. Am. Chem. Soc., 1971, 93, 6623.
A. A. Shchepalov, S. V. Zelentsov, and A. G. Razuvaev, Izv. Akad. Nauk. Ser. Khim., 2001, 2239 [Russ. Chem. Bull., 2001, 50, 2346].
S. V. Zelentsov, N. V. Zelentsova, A. B. Zhezlov, and A. V. Oleinik, Khim. Vys. Energ., 2000, 34, 201 [High Energy Chem., 2000, 34 (Engl. Transl.)].
T. Harder, P. Wessig, J. Bendig, and R. Stosser, J. Am. Chem. Soc., 1999, 121, 6580.
S. V. Zelentsov, N. V. Zelentsova, M. V. Kuznetsov, and I.V. Simdyanov, Khim. Vys. Energ., 2004, 38, 28 [High Energy Chem., 2004, 38 (Engl. Transl.)].
I. V. Simdyanov and S. V. Zelentsov, Tez. dokl. XI Mezhdunar. konf. po khimii organicheskikh i elemento-organicheskikh peroksidov (Moskva, 24—26 iyunya 2003) [Abstrs XIth Int. Conf. on Organic and Organoelement Peroxides (June 24—26, 2003, Moscow, Russia)], Moscow, 2003, 208 (in Russian).
J. G. Calvert and J. N. Pitts, Jr., Photochemistry, Wiley, New York, 1966.
W. Kohn and L. J. Sham, Phys. Rev., A, 1965, 140, 1133.
A. Pople, P. M. V. Gill, and B. G. Johnson, Chem. Phys. Lett., 1992, 199, 557.
M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. A. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, GAUSSIAN-94, Gaussian, Inc., Pittsburgh (PA), 1995.
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Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 2, pp. 202–206, February, 2006.
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Zelentsov, S.V., Simdyanov, I.V. interaction of nitro compounds with radicals: a quantum chemical study. Russ Chem Bull 55, 207–211 (2006). https://doi.org/10.1007/s11172-006-0238-7
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DOI: https://doi.org/10.1007/s11172-006-0238-7