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Updated: Jul 2, 2026

Preparation of a Corannulene-functionalized Hexahelicene by Copper(I)-catalyzed Alkyne-azide Cycloaddition of Nonplanar Polyaromatic Units
Published on: September 18, 2016
Regioselectivity in azahydro[60]fullerene derivatives: application of general-purpose reactivity indicators
Flavio F Contreras-Torres1, Vladimir A Basiuk, Elena V Basiuk
1Centro de Ciencias Aplicadas y Desarrollo Tecnologico, Universidad Nacional Autonoma de Mexico, Circuito Exterior C. U., 04510 Mexico D.F., Mexico. flavioc@nucleares.unam.mx
Abstract:
To attempt theoretical predictions of the regioselectivity pattern in molecules with multiple reactive sites, the energies of formation of all possible isomers are usually considered. This means that the computing becomes highly demanding if high theoretical levels are used. The study objective was to predict the regioselectivity in the reaction of hydrogen addition onto azahydro[60]fullerene C 59H n+1 N ( n = 0-4) systems using a new reactivity indicator termed general-purpose reactivity indicator, Xi Delta N
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