Keto/enol tautomerism in phenylpyruvic acids: Structure of the o- nitrophenylpyruvic acid

Journal of Molecular Structure

Volumn 520, Issue 1-3, 2000, Pages 191-198

  Carpy, A J M ^a   Haasbroek, P P ^b   Ouhabi, J ^a,c   Oliver, D W ^d  

^a CNRS   (France)

^b UNIVERSITY OF THE WITWATERSRAND MEDICAL SCHOOL   (South Africa)

^c FACULTÉ DES SCIENCES ET TECHNIQUES GUÉLIZ   (Morocco)

^d NORTH WEST UNIVERSITY   (South Africa)

Author keywords

Azlactones; NMR; Phenylpyruvic acids; Quantum mechanics; Tautomerism; X ray

Indexed keywords

LACTONE DERIVATIVE; PHENYLPYRUVIC ACID;

ARTICLE; CHEMICAL STRUCTURE; HYDROLYSIS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM MECHANICS; REACTION ANALYSIS; STRUCTURE ANALYSIS; X RAY DIFFRACTION;

EID: 0034646343     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(99)00323-3     Document Type: Article

References (20)

1. P.P. Haasbroek, Ph.D. Thesis, Potchefstroom University for C.H.E., Potchefstroom, South Africa, 1997.
2. Oliver D.W., Haasbroek P.P., Leger J.M., Carpy A.J.M. J. Chem. Crystallogr. 24:1994;665.
3. Haasbroek P.P., Oliver D.W., Carpy A.J.M. J. Chem. Crystallogr. 28:1998;139.
4. Haasbroek P.P., Oliver D.W., Carpy A.J.M. J. Chem. Crystallogr. 28:1998;193.
5. Haasbroek P.P., Oliver D.W., Carpy A.J.M. J. Chem. Crystallogr. 28:1998;811.
6. Raiford L.C., Buurman C.H. J. Org. Chem. 8:1943;466.
7. Pouchert C.J., Campbell J.R. The Aldrich Library of NMR Spectra. VI:1974;Aldrich Chemical Company. p. 127.
8. Pirrung M.C., Chen J., Rowley E.G., McPhail A.T. J. Am. Chem. Soc. 115:1993;7103.
9. Pérez I.J., Rosell S.M. Afinidad. 36:1979;332.
10. Wong H.N.C., Xu Z.L., Chang H.M., Lee C.M. Synthesis. 8:1992;793.
11. Gulland J.M., Ross K.I., Smellie N.B. J. Chem. Soc. 1931;2885.
12. Burton H. J. Chem. Soc. 1935;1265.
13. MolEN, An Interactive Structure Solution Procedure, Enraf-Nonius, Delft, The Netherlands, 1990.
14. AMPAC 6.0, Semichem, 7128 Summit, Shawnee, KS 66216, USA.
15. M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Peterson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrewski, J.V. Ortiz, J.B. Foresman, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, GAUSSIAN94, revision B.3, Gaussian, Inc., Pittsburgh, PA, 1995.
16. Parr R.G., Yang W. Density-Functional Theory of Atoms and Molecules. 1989;Oxford University Press, Oxford.
17. Becke A.D. J. Chem. Phys. 98:1993;5648.
18. Schlegel H.B. J. Comput. Chem. 3:1982;214.
19. Hehre W.J., Radom L., Schleyer P.v.R., Pople J.A. Ab Initio Molecular Orbital Theory. 1986;Wiley, New York. chap. 6.
20. Details to be published elsewhere.