Síntesis y estudio computacional de tetra-n-butilpirogalo[4]areno

Description: The following research involves the synthesis of tetra-n-butylpyrogallol[4]arene, a macromolecule similar in structure to calixarenes and resorcinarenes, and the identification of non-covalent interactions between the pyrogallol macrocycle as host and guests molecules with different polarities. The research is based on a computational analysis devoloped in CAChe® software using the semi-empyrical methods MM/PM3 and MM/PM5 in order to analyze final heats of formation to evidence trends in host – guests interactions.
La investigación trata acerca de la síntesis de tetra-n-butilpirogalol[4]areno, una macromolécula similar en su estructura a los calixarenos y los resorcinarenos, y la identificación de fuerzas intermoleculares no covalentes que puedan estabilizar complejos moleculares formados a partir de la molécula de tetra-n-butilpirogalol[4]areno y moléculas orgánicas huésped de distintas características de polaridad.