DFT studies on tautomeric preferences. Part 2: Proton transfer in 1-(pyridin-2-yl)-5-(quinolin-2-yl)pentane-2,4-dione

Journal of Molecular Structure: THEOCHEM

Volumn 949, Issue 1-3, 2010, Pages 57-59

  Dobosz, Robert ^a   Gawinecki, Ryszard ^a   Kanabaj, Agnieszka ^a  

^a UNIVERSITY OF TECHNOLOGY AND LIFE SCIENCES   (Poland)

Author keywords

Diketones; Aromaticity; DFT calculations; Intramolecular hydrogen bond; Pyridines; Tautomerism

Indexed keywords

EID: 77950935680     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2010.03.004     Document Type: Article

References (23)

1. Dobosz R., and Gawinecki R. J. Mol. Struct.: THEOCHEM 940 (2010) 119-123
2. M.J. Frisch et al., Gaussian 03, Revision E.01, Gaussian, Inc., Wallingford, CT, 2004.
3. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785-789
4. Becke A.D. J. Chem. Phys. 98 (1993) 5648-5652
5. Corminboeuf C., Heine T., Seifert G., Schleyer P.v.R., and Weber J. Phys. Chem. Chem. Phys. 6 (2004) 273-276
6. Fallah-Bagher-Shaidaei H., Wannere C.S., Corminboeuf C., Puchta R., and Schleyer P.V.R. Org. Lett. 8 (2006) 863-866
7. Woliński K., Hinton J.F., and Pulay P. J. Am. Chem. Soc. 112 (1990) 8251-8260
8. Krygowski T.M. J. Chem. Inf. Comput. Sci. 33 (1993) 70-78
9. Sobczyk L., Grabowski J.S., and Krygowski T.M. Chem. Rev. 105 (2005) 3513-3560
10. Cyrański M.K., Ste{ogonek}pień B.T., and Krygowski T.M. Tetrahedron 56 (2000) 9663-9667
11. Palusiak M., and Krygowski T.M. Chem. Eur. J. 13 (2007) 7996-9006
12. Steiner E., Fowler P.W., Soncini A., and Jenneskens L.W. Faraday Discuss. 135 (2007) 309-323
13. Bultinck P. Faraday Discuss. 135 (2007) 347-365
14. E. Clar, Polycyclic Hydrocarbons, vols. 1 and 2, Academic Press, London, 1964.
15. Clar E. In Aromatic Sextett (1972), Wiley, London
16. Mohajeri A. J. Mol. Struct.: THEOCHEM 677 (2004) 201-205
17. Ogawa K., and Harada J. J. Mol. Struct. 647 (2003) 211-216
18. Buemi G., Zuccarello F., Venuvanalingam P., and Ramalingam M. Theor. Chem. Acc. 104 (2000) 226-234
19. Rybarczyk-Pirek A., Grabowski S.J., Małecka M., and Nawrot-Modranka J. J. Phys. Chem. A 106 (2002) 11956-11962
20. Gilli G., Bellucci F., Ferretti V., and Bertolasi V. J. Am. Chem. Soc. 111 (1989) 1023-1028
21. Bertolasi V., Gilli P., Ferretti V., and Gilli G. J. Am. Chem. Soc. 113 (1991) 4917-4925
22. Gilli P., Bertolasi V., Ferretti V., and Gilli G. J. Am. Chem. Soc. 116 (1994) 909-915
23. Bertolasi V., Gilli P., Ferretti V., and Gilli G. Chem.- Eur. J. 2 (1996) 925-934