A theoretical approach to zwitterionic derivatives of 4-vinylpyridine
Por:
Salcedo R., Cardoso J., Manero O., Monroy V.M., Escobar J.L.V., Rubio-Arroyo M.F.
Publicada:
1 ene 1989
Resumen:
4-Vinylpyridine and a quaternized derivative were calculated by the modified neglect of differential overlap (MNDO) method to obtain values related to their geometry, energetic magnitudes and dipole moments for the closed-shell molecules and the corresponding free radicals. A discussion of the chemical behaviour of all structures is presented and some evidence for a possible free-radical pathway for polymerization is analysed. © 1989.
Filiaciones:
Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de México, A. Postal 70-360, 04510 México DF, Mexico
Instituto de Quimica, Universidad Nacional Autonoma de México, Circuito Exterior, 04510 México DF, Mexico
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