Changes in the IR spectra and structures of pyridine-3-carboxamides-d0 and -d2 caused by their conversion into azanions-d0 and -d1: Experimental and computational studies

Journal of Molecular Structure

Volumn 826, Issue 2-3, 2007, Pages 198-204

  Daskalova, Lalka I ^a   Velcheva, Evelina A ^a   Binev, Ivan G ^a  

^a INSTITUTE OF ORGANIC CHEMISTRY   (Bulgaria)

Author keywords

Anion; DFT; IR; Isotope effect; Pyridine 3 carboxamide (Nicotinamide); Structure

Indexed keywords

COMPUTATIONAL METHODS; INFRARED SPECTROSCOPY; MOLECULAR STRUCTURE; NEGATIVE IONS; PROBABILITY DENSITY FUNCTION;

ISOTOPE EFFECTS; PLANAR AZANION; STERIC STRUCTURE;

NITROGEN COMPOUNDS;

EID: 33846000331     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2006.05.001     Document Type: Article

References (31)

1. Kuhn R., and Wetter H. Chem. Ber. 68 B (1935) 2374
2. Euler H.V., Schlenk F., Melzer L., and Hougberg B. Z. Phisiol. Chem. 258 (1939) 212
3. Karrer P., and Keller H. Helv. Chim. Acta. 22 (1939) 1292
4. th Edn., Merck & Co. Inc., Rahway, N. J., USA, 1968, pp. 729.
5. Karastanev I.I., Karastanev K.I., Atanassov A.N., and Yochev S.C. Handbook of Pharmacy and Therapy (Bulg. Pharmacopea) (1998), Raykov Medical Publishers, Plovdiv pp. 578-579
6. Shindo H. Pharm. Bull. (Tokyo) 5 (1957) 472
7. Velcheva E.A., and Daskalova L.I. J. Mol. Struct. 741 (2005) 85
8. Matsuo T. Bull. Chem. Soc. Jap. 37 (1964) 1844
9. Ognyanova V., Petrov J., and Andreev G.N. Spectrosc. Lett. 30 (1997) 933
10. Andreev G.N., Argirov O.K., and Ognyanova V. J. Mol. Struct. 598 (2001) 27
11. Binev I.G., Vassileva-Boyadjieva P.J., and Binev Y.I. J. Mol. Struct. 447 (1998) 235
12. Binev I.G., Stamboliyska B.A., and Binev Y.I. Spectrochim. Acta Part A 54 (1998) 843
13. Velcheva E.A., Petrova K.V., Antonova N.S., Daskalova L.I., Georgieva M.K., and Petrov O.A. Compt. Rend. Acad. Bulg. Sci. 58 (2005) 567
14. Binev I.G., Stamboliyska B.A., Binev Y.I., Velcheva E.A., and Tsenov J.A. J. Mol. Struct. 513 (1999) 231
15. Stamboliyska B.A., Binev Y.I., Radomirska V.B., Tsenov J.A., and Juchnovski I.N. J. Mol. Struct. 516 (2000) 237
16. Daskalova L.I., and Binev I.G. Int. J. Quant, Chem. 106 (2006) 1338
17. 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, A. G. Baboul, 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, M. Head-Gordon, E. S. Replogle and J. A. Pople, Gaussian 98, Revision A.7, Gaussian, Inc., Pittsburgh PA (1998).
18. Becke A.D. J. Chem. Phys. 98 (1993) 5648
19. Lee C., Yang W., and Parr G.R. Phys. Rev. B 37 (1988) 785
20. Georgieva M.K. J. Mol. Struct. 691 (2004) 71
21. Binev Y.I., Georgieva M.K., and Novkova S.I. Spectrochim. Acta Part A 59 (2003) 3041
22. Binev Y.I., Georgieva M.K., and Daskalova L.I. Spectrochim. Acta Part A 60 (2004) 2601
23. Georgieva M.K. Bulg. Chem. Commun. 35 (2003) 195
24. Georgieva M.K., and Binev I.G. J. Mol. Struct. 752 (2005) 14
25. Georgieva M.K., and Velcheva E.A. Int. J. Quant. Chem. 106 (2006) 1316
26. Andreev G.N. Molecular Spectroscopy (Bulg.) P. (2002), Khilendarski University Press, Plovdiv pp. 68-69
27. Georgieva M.K., Nedelchev N.B., and Juchnovski I.N. Bulg. Chem. Commun. 37 (2005) 235
28. Vassileva-Boyadjieva P.J., Velcheva E.A., and Binev Y.I. Bulg. Chem. Commun. 37 (2005) 313
29. Takeshima T., Takeushi H., Eguawa T., and Konaka S. J. Mol. Struct. 644 (2003) 197
30. Miwa Y., Mizuno T., Tsuchido K., Taga T., and Iwata I. Acta Cryst. Part B 55 (1999) 78
31. Kovacs A. J. Mol. Struct. 482-483 (1999) 397