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Federico Jiménez-Cruz ; Guillermo Ramírez-Galicia ;Journal of the Mexican Chemical Society 2010, 54 (4)

Autor: Manuel Fernando Rubio

Fuente: http://www.redalyc.org/


Introducción



Journal of the Mexican Chemical Society ISSN: 1870-249X editor.jmcs@gmail.com Sociedad Química de México México Rubio, Manuel Fernando; Jiménez-Cruz, Federico; Ramírez-Galicia, Guillermo Theoretical Study of the Electronic Effects in the Intramolecular Ketene-Styrene [2 2] Cycloaddition Journal of the Mexican Chemical Society, vol.
54, núm.
4, octubre-diciembre, 2010, pp.
209-215 Sociedad Química de México Distrito Federal, México Available in: http:--www.redalyc.org-articulo.oa?id=47521542005 How to cite Complete issue More information about this article Journals homepage in redalyc.org Scientific Information System Network of Scientific Journals from Latin America, the Caribbean, Spain and Portugal Non-profit academic project, developed under the open access initiative Theoretical Article Study of the Electronic Effects in the Intramolecular Ketene-Styrene [2 2] Cycloaddition J.
Mex.
Chem.
Soc.
2010, 54(4), 209-215 209 © 2010, Sociedad Química de México ISSN 1870-249X Theoretical Study of the Electronic Effects in the Intramolecular Ketene-Styrene [2 2] Cycloaddition Manuel Fernando Rubio,1 Federico Jiménez-Cruz2 and Guillermo Ramírez-Galicia3* 1 Instituto de Química, Universidad Nacional Autónoma de México, Circuito Exterior, Ciudad Universitaria, 04510, Coyoacán, México DF, México. 2 Instituto Mexicano del Petróleo, Eje Central Lázaro Cárdenas 152, San Bartolo Atepehuacan, 07730, México DF, México. 3 Universidad del Papaloapan, División de Estudios de Posgrado, Circuito Central 200, Parque Industrial, 68301, Tuxtepec, Oaxaca, México.
e-mail: gramirez@unpa.edu.mx memorgal@gmail.com Received August 12, 2010; accepted September 2, 2010 Abstract.
DFT (B3LYP-6-31 G*) and post-Hartree-Fock (MP2-631 G*--B3LYP-6-31G*) calculations were carried out in order to explain the effect of a remote substituent in the intramolecular ketene-styrene [2 2] cycloaddition of p-substituted 2-methyl-7-arylhepta-1,6-dien-1-one which produces the b...





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