Theoretical study on the thermolysis of methyl-3-hydroxypropanoate in m-xylene solution

Journal of Molecular Structure: THEOCHEM

Volumn 902, Issue 1-3, 2009, Pages 41-48

  Rodríguez Linares, Diana ^a   Codorniu Hernández, Edelsys ^a   Velez Ortíz, Ederley ^b   Murillo López, Juliana Andrea ^b   Villegas Bolaños, Paola Andrea ^b   Quijano Tobón, Jairo ^b  

^a Instituto Superior de Tecnologias y Ciencias Aplicadas InSTEC   (Cuba)

^b UNIVERSIDAD NACIONAL DE COLOMBIA   (Colombia)

Author keywords

Hydroxyester; MMH; SCIPCM; Solvent effects; Thermolysis

Indexed keywords

EID: 63649118417     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2009.02.007     Document Type: Article

References (28)

1. Yates B.L., and Quijano J. J. Org. Chem. 9 (1969) 2505
2. Quijano J., Rodríguez M.M., del M., Yepes S., and Gallego L.H. Tetrahedron Lett. 28 (1987) 3555
3. Smith G.G., and Taylor R. Chem. Ind. (London) (1961) 949
4. Smith G.G., and Yates B. J. Chem. Soc. (1965) 7242
5. Viola A., MacMillan J.H., Proverb R.J., and Yates B.L. J. Am. Chem. Soc. 93 (1971) 6967
6. Viola A., and MacMillan J.H. J. Am. Chem. Soc. 90 (1968) 6141
7. Sánchez C., Quijano J., and Notario R. J. Phys. Org. Chem. 17 (2004) 294
8. Zapata E., Gaviria J., and Quijano J. Int. J. Chem. Kinet. 39 (2007) 92
9. Klabunovskii E.I. Russ. Chem. Rev. 65 (1996) 329
10. Yates B.L., and Quijano J. J. Org. Chem. 35 (1970) 1239
11. Yates B.L., Ramírez A., and Velásquez O. J. Org. Chem. 36 (1971) 3579
12. August R., McEwen I., and Taylor R. J Chem. Soc. Perkin Trans 2 (1987) 1683
13. Domínguez R.M., Chuchani G., Quijano J., Orozco L.J., and Restrepo I. React. Kinet. Catal. Lett. 57 (1969) 191
14. Notario R., Quijano J., Quijano J.C., Gutiérrez L.P., Suárez W.A., Sánchez C., León L.A., and Chamorro E. J. Phys. Chem. A 106 (2002) 4377
15. Montero L.A., Esteva A.M., Molina J., Zapardiel A., Hernández L., Márquez H., and Acosta A. J. Am. Chem. Soc. 120 (1998) 12023
16. Codorniu E., Mesa A., Montero L.A., Martinez F., Bormann T., and Stohrer W.D. J. Mol. Struct. (THEOCHEM) 623 (2003) 63
17. Codorniu-Hernández E., Mesa-Ibirico A., Hernández-Santiesteban R., Montero-Cabrera L.A., Martinez-Luzardo F., and Stohrer W.D. J. Mol. Struct. (THEOCHEM) 715 (2005) 227
18. Codorniu-Hernández E., Mesa-Ibirico A., Hernández-Santiesteban R., Montero-Cabrera L.A., Martinez-Luzardo F., Santana-Romero J.L., Bormann T., and Stohrer W.D. Int. J. Quant. Chem. 103 (2005) 82
19. Sánchez-García E., Montero L.A., and Sander W. J. Phys. Chem. A 110 (2006) 12613
20. Sánchez-García E., Studentkowski M., Montero L.A., and Sander W. Chem. Phys. Chem. 6 (2005) 618
21. Sánchez-García E., George L., Montero L.A., and Sander W. J. Phys. Chem. A 108 (2004) 11846
22. Wohlfarth C. In: Lide D.R. (Ed). Temperature Dependence of the Permitivity (Dielectric Constant) of Liquids. 76th ed. CRC Handbook of Chemistry and Physics (1995), CRC Press, Boca Raton 185-199
23. Scott A., and Radom L. J. Phys. Chem. 41 (1996) 16502
24. Crespo-Otero R., Montero L.A., Stohrer W.-D., and Garcia de la Vega J.M. J. Chem. Phys. 123 (2005) 134
25. M.J. Frisch et al., Gaussian 03, Revision C.02, Gaussian, Inc., Wallingford CT, 2004.
26. J.J.P. Stewart, MOPAC Manual, 6th ed. Frank J. Seiler Research Laboratory United State Air Force Academy, October 1990. (This program was implemented in the computer cluster of the Institute of Organic Chemistry or the University of Bremen.).
27. P.A. Villegas-Bolaños, Termólisis del 3-hidroxi-propanoato de metilo y etilo en solución de m-xileno. Estudio experimental y teórico, Diploma thesis, Universidad Nacional de Colombia, Sede Medellín, 2004.
28. G.A. Jeffrey, An Introduction to Hydrogen Bonding, New York, 1997.