Infrared spectra and structure of alkane- and cycloalkanecarbonitriles and of their carbanions: An ab initio force field treatment

Spectrochimica Acta - Part A Molecular Spectroscopy

Volumn 52, Issue 9 PART A, 1996, Pages 1145-1154

  Juchnovski, I N ^a   Tsenov, J A ^a   Binev, I G ^a  

^a BULGARIAN ACADEMY OF SCIENCES   (Bulgaria)

Author keywords

Ab initio force field; Carbanions; Electronic structure; FTIR; Nitriles

Indexed keywords

EID: 0000271858     PISSN: 05848539     EISSN: None     Source Type: Journal    
DOI: 10.1016/0584-8539(95)01619-8     Document Type: Article

References (24)

1. C. Krüger, J. Organomet. Chem., 9 (1967) 125.
2. G.A. Gornowicz and R. West, J. Am. Chem. Soc., 93 (1971) 1714.
3. R. Das and A. Wilkie, J. Am. Chem. Soc., 94 (1972) 4555.
4. I.N. Juchnovski and I.G. Binev, J. Organomet. Chem., 99 (1975) 1.
5. I.N. Juchnovski, J.S. Dimitrova, I.G. Binev and J. Kaneti, Tetrahedron, 34 (1978) 779.
6. G. Raabe, E. Zobel, J. Fleischhauer, P. Gerdes, D. Mannes, E. Müller and D. Endes, Z. Naturforsch. Teil A, 46 (1991) 275.
7. I.N. Juchnovski and I.G. Binev, C.R. Acad. Bulg. Sci., 26 (1973) 659.
8. I.N. Juchnovski, Teor. Eksp. Khim., 3 (1967) 410.
9. D. Croisat, J. Seyden-Penne, T. Strzalko, L. Wartski, J. Corset and F. Fromment, J. Org. Chem., 57 (1992) 6435.
10. I.G. Binev, J.A. Tsenov, E.A. Velcheva and I.N. Juchnovski, J. Mol. Struct., 344 (1995) 205.
11. I.G. Binev, R.I. Todorova-Momcheva and I.N. Juchnovski, C.R. Acad. Bulg. Sci., 29 (1976) 1301.
12. I.G. Binev, J.A. Tsenov, E.A. Velcheva, V.B. Radomirska and I.N. Juchnovski, J. Mol. Struct., submitted for publication.
13. M.W. Schmidt, K.K. Baldridge, J.A. Boatz, S.T. Elbert, M.S. Gordon, J.J. Jensen, S. Koseki, N. Matsunaga, K.A. Nguyen, S. Su, T.L. Windus, M. Dupuis and J.A. Montgomery, J. Comput. Chem., 14 (1993) 1347.
14. I.N. Juchnovski and I.G. Binev, in S. Patai and Z. Rappoport (Eds.), Infrared Spectra of Cyano and Isocyano Groups, The Chemistry of Functional Groups, Suppl. C, Wiley, New York, 1983, Chap. 4.
15. I.G. Binev, Ph.D. Thesis, Bulgarian Academy of Sciences, Sofia, 1974, p. 108.
16. A. Abbotto, S. Bradamante and G. Pagani, J. Org. Chem., 58 (1993) 449.
17. A.C. Hopkinson, M.A. McKinney and M.H. Lien, J. Comput. Chem., 4 (1983) 513.
18. V.M. Vlasov and L.A. Oskina, Org. React., 28 (1993) 47.
19. C.A. Reutov, K.P. Butin and I.P. Beletskaya, Usp. Khim., 43 (1974) 35.
20. O.A. Reutov, I.P. Beletskaya and K.P. Butin, The C-H Acids (in Russian), Nauka, Moscow, 1990, p. 33.
21. F.G. Bordwell, Acc. Chem. Res., 21 (1988) 456.
22. D.J. Cram, Fundamentals of Carbanion Chemistry (in Russina), Mir, Moscow, 1967, p. 28.
23. R.A.L. Peerboom, G.J. Rademaker, L.J. de Koning and N.M.M. Nibbering, Rapid Commun. Mass. Spectrom., 6 (1992) 394.
24. R.A.L. Peerboom, L.J. de Koning and N.M.M. Nibbering, J. Am. Soc. Mass. Spectrom., 5 (1994) 159.