Tautomerism of 3-nitro-1,2,4-triazole-5-one radical anions

Magnetic Resonance in Chemistry

Volumn 47, Issue 9, 2009, Pages 716-719

  Vakulskaya, Tamara I ^a   Larina, Lyudmila I ^a   Protsuk, Nadezhda I ^a   Lopyrev, Valentin A ^a  

^a A E FAVORSKY IRKUTSK INSTITUTE OF CHEMISTRY   (Russian Federation)

Author keywords

3 nitro 1,2,4 triazole 5 one; Ab initio and DFT calculations; Electrochemical reduction; ESR; NTO; Tautomers

Indexed keywords

3-NITRO-1,2,4-TRIAZOLE-5-ONE; AB INITIO AND DFT CALCULATIONS; ELECTROCHEMICAL REDUCTIONS; NTO; RADICAL ANIONS; TAUTOMER;

ELECTROLYTIC REDUCTION;

EID: 68649111907     PISSN: 07491581     EISSN: 1097458X     Source Type: Journal    
DOI: 10.1002/mrc.2451     Document Type: Article

References (15)

1. L. Le Campion, M. Delaforge, J. P. Noel, J. Ouazzani, J. Mol. Catal. B Enzym. 1998, 5, 395.
2. J. Sarlauskas, A. Nemeikaite-Ceniene, Z. Anusevicius, L.Miseviciene, A. Maroziene, A. Markevicius, N. Cenas, Z. Naturforsch. 2004, 59c, 399.
3. D. Pace, L. Fan, T. J. Burkey, Material research society symposium proceeding, Proceedings of the MRS Meeting, 1996, 418, p. 127.
4. J. A. Menapace, J. E. Marlin, D. R. Bruss, R. V. Dascher, J. Phys. Chem.1991, 95, 5509.
5. H. H. Licht, H. Ritter, H. R. Bircher, P. Bigler, Magn.Reson.Chem. 1998, 36, 343.
6. N. J. Harris, K. Lammertsma, J. Am. Chem. Soc. 1996, 118, 8048.
7. V. A. Lopyrev, L. I. Larina, T. N. Rakhmatulina, E. F. Shibanova, T. I. Vakul'skaya, M. G. Voronkov, Doklady ANSSSR 1978, 242, 142, in Russian.
8. T. I. Vakul'skaya, T. N. Rakhmatulina, M. S. Pevzner, T. P. Kofman, V. A. Lopyrev, Chem. Heterocycl. Comp. 1987, 23, 287, Translation from Russian.
9. V. A. Lopyrev, L. I. Larina, I.M. Sosonkin, T. I. Vakul'skaya, G. L. Kalb, E. F. Shibanova, Chem. Heterocycl. Comp. 1985, 21, 688, Translated from Russian.
10. J. P. Ritchie, J. Org. Chem. 1989, 54, 3553.
11. G. I. Chipen, R. P. Bokalder, V. Ya. Greenshtein, Chem. Heterocycl. Comp. 1966, 2, 79, Translated from Russian.
12. M. W. Smith, M. D. Cliff, NTO-based explosive formulations: a technology review, DSTO-TR-0796, Department of Defence, Commonwealth of Australia 1999-03, 1999.
13. A. V. Il'yasov, Y. M. Kargin, I. D. Morozova, EPR Spectra of Organic Ion-Radicals, Nauka:Moscow, 1980.
14. M. J.Frisch, G.W.Trucks, H. B.Schlegel, G. E. Scuseria, M. A.Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle, J. A. Pople, Gaussian 98, Revision A.6, Gaussian, Inc.: Pittsburgh, 1998.
15. I. A. Alkorta, P. Goya, J. Elguero, S. P. Singh, Natl.Acad. Sci. Lett. 2007, 30, 139.