Exploring the maximum Fukui function sites with the frontier-controlled softsoft reactions using 1,3-dipolar cycloaddition reactions of nitrilium betaines

12^th International Conference on Chemistry Meeting

October 20-21, 2022 | Webinar

Alejandro Morales-Bayuelo

Grupo GENOMA, Escuela de Medicina, Universidad del Sinú-EBZ, Cartagena-Bolívar, Colombia

Scientific Tracks Abstracts: Chem Sci J

Abstract :

According to P.K. Chattaraj. J. Phys. Chem. A 2001, 105, 511-513 “the maximum Fukui function site is the best for the frontier-controlled soft-soft reactions whereas for the charge-controlled hard-hard interactions the preferred site is associated with the maximum net charge and not necessarily the minimum Fukui function”. Taking into account these outcomes in this research is explored this reactivity scheme using in first case the reaction between fulminic acid with ethylene (reference reaction), after is varying the dipolarophile in the reaction between fulminic acid with acetylene, and finally is varying the dipole in the reaction between formonitrile imine with ethylene. These results allow study parameter such as charge transfer, polarizability, covalent character on bonding, among other; also shown the preference by the sf- / sf+ interactions in the transition state on the sf- / sf- interactions. On the other hand, these results also were justified using net electrophilicity which is defined as the electrophilic power of a system relative to its own nucleophilic power.

Biography :

Alejandro Morales-Bayuelo. Alejandro Morales Bayuelo. Chemist. Molecular Physical Chemistry Ph. D. Molecular Physical-Chemistry Postdoctoral. Molecular Biophysics Post-doctoral. Academic Research. Research Group-GIBACUS. Escuela de Medicina. Universidad del Sinú E.B.Z - Seccional Cartagena. Sede Campus Santillana. Av. transv. 54 No 30 453.