The structure of mono sodium dioxydinitrobenzofuroxane complex is studied by quantum-chemical modeling on the basis of structural data obtained previously by means of X-ray diffraction method and IR-spectroscopy.
мононатриевый комплекс диоксидинитробензофураксана, комплексообразование, квантово-химическое моделирование, monosodium dioxydinitrobenzofuroxane complex, complexation, quantum-chemical modeling
1. C.M. Silva, D.L. Silva, L.V. Modolo, R.B. Alves, M.A. Resende, C.V.B. Martins, A. Fatima, Journal of Advanced Research, 2, 1-8 (2011).
2. Gazizova E.I., Yusupova L.M., Kataeva O.N. Vestnik Kaz. Tehnol. Un-ta, 6, 31-36 (2007).
3. L.M. Yusupova, I.F. Falyahov, ZhNH, 48, 6, 937-946 (2003).
4. E.I. Gazizova, R.A. Yusupov, L.M. Yusupova, Vestnik Kaz. Tehnol. Un-ta, 3-4, 12-17 (2007)
5. E.I. Gazizova. Diss. kand. him. nauk, Kazanskiy gosudarstvennyy tehnologicheskiy universitet, Kazan', 2008. 131s.
6. M. J. Frisch, G. W. Trucks, H. B. Schlegel, ..., J. V. Ortiz, J. Cioslowski, and D. J. Fox, Gaussian 09, Revision B.01, Gaussian, Inc., Wallingford CT, 2010.
7. A. Schaefer, H. Horn, R. Ahlrichs, J. Chem. Phys., 97, 2571-2573 (1992).
8. A. Schaefer, C. Huber, R. Ahlrichs, J. Chem. Phys.,100, 5829-5829 (1994).
9. F. Eckert, A. Klamt, AIChE J. 48, 369-385(2002).