Stereochemical behavior of 77Se-1H spin-spin coupling constants in pyrazolyl-1,3-diselenanes and 1,2-diselenolane

Magnetic Resonance in Chemistry

Volumn 50, Issue 2, 2012, Pages 169-173

  Rusakov, Yury Yu ^a   Krivdin, Leonid B ^a   Papernaya, Lyubov K ^a   Shatrova, Alexandra A ^a  

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

Author keywords

diselenolane; HMBC; NMR; pyrazolyldiselenanes; SOPPA; stereochemical analysis

Indexed keywords

CONFORMATIONS; COUPLINGS;

CONFORMATIONAL STUDY; DIHEDRAL ANGLE DEPENDENCE; DISELENOLANE; HMBC; PYRAZOLYL; PYRAZOLYLDISELENANE; SOPPA; SPIN-SPIN COUPLING CONSTANTS; STEREOCHEMICAL ANALYSIS; THEORETICAL CALCULATIONS;

DIHEDRAL ANGLE;

EID: 84858334379     PISSN: 07491581     EISSN: 1097458X     Source Type: Journal    
DOI: 10.1002/mrc.2863     Document Type: Article

References (23)

1. Y. Y. Rusakov, L. B. Krivdin, N. V. Istomina, V. A. Potapov, S. V. Amosova,. Magn. Reson. Chem. 2008, 46, 979.
2. (a), Y. Y. Rusakov, L. B. Krivdin, N. V. Istomina, E. P. Levanova, G. G. Levkovskaya,. Austr. J. Chem. 2009, 62, 734
3. (b), Y. Y. Rusakov, L. B. Krivdin, S. P. A. Sauer, E. P. Levanova, G. G. Levkovskaya,. Magn. Reson. Chem. 2010, 48, 44.
4. K. E. Kövér, A. A. Kumar, Y. Y. Rusakov, L. B. Krivdin, T.-Z. Illyés, L. Szilágyi,. Magn. Reson. Chem. 2011, 49, 190.
5. Y. Y. Rusakov, L. B. Krivdin, V. A. Potapov, M. V. Penzik, S. V. Amosova,. Magn. Reson. Chem. 2011, 49, 389.
6. Y. Y. Rusakov, L. B. Krivdin, N. V. Orlov, V. P. Ananikov,. Magn. Reson. Chem. 2011, 49, 570.
7. (a), A. Krief,. Tetrahedron 1980, 36, 2531
8. (b), M. Clarembeau, A. Cravador, W. Dumont, L. Hevesi, A. Krief, J. Lucchetti, D. Van Ende,. Tetrahedron 1985, 41, 4793
9. (c), A. Krief, L. Defrere,. Tetrahedron Lett. 1996, 37, 2667
10. (d), A. Krief, L. Defrere,. Tetrahedron Lett. 1996, 37, 8015.
11. (a), P. Elguero, N. Goya, A. M. S. Silva, Pyrazoles as Drugs: Facts and Fantasies, in Targets in Heterocyclic Systems. Chemistry and Properties, (Eds:, O. A. Attanasi, D. Spinelli,), Italian Society of Chemistry, Rome, 2002, 6, 53
12. (b), A. F. Grapov,. Russ. Chem. Rev. 1999, 68, 697
13. (c), S. A. Cristodoulou, K. M. Kasiotis, N. Fokialakis, I. Tillitu, M. S. Haroutounian,. Tetrahedron Lett. 2008, 49, 7100.
14. (a), E. S. Nielsen, P. Jørgensen, J. Oddershede,. J. Chem. Phys. 1980, 73, 6238
15. (b), M. J. Packer, E. K. Dalskov, T. Enevoldsen, H. J. A. Jensen, J. Oddershede,. J. Chem. Phys. 1996, 105, 5886
16. (c), K. L. Bak, H. Koch, J. Oddershede, O. Christiansen, S. P. A. Sauer,. J. Chem. Phys. 2000, 112, 4173.
17. (a), T. H. Dunning,. J. Chem. Phys. 1989, 90, 1007
18. (b), R. A. Kendall, T. H. Dunning, R. J. Harrison,. J. Chem. Phys. 1992, 96, 6796
19. (c), D. E. Woon, T. H. Dunning,. J. Chem. Phys. 1993, 98, 1358.
20. P. F. Provasi, G. A. Aucar, S. P. A. Sauer,. J. Chem. Phys. 2001, 115, 1324.
21. M. W. Schmidt, K. K. Baldridge, J. A. Boatz, S. T. Elbert, M. S. Gordon, J. H. Jensen, S. Koseki, N. Matsunaga, K. A. Nguyen, S. J. Su, T. L. Windus, M. Dupuis, J. A. Montgomery,. J. Comp. Chem. 1993, 14, 1347.
22. DALTON, A Molecular Electronic Structure Program, Release Dalton2011, 2011, see
23. N. V. Russavskaya, E. P. Levanova, E. N. Suchomazova, V. A. Grabel'nykh, L. V. Klyba, E. R. Zhanchipova, A. I. Albanov, N. A. Korchevin,. Russ. J. Gen. Chem. 2006, 76, 229.