6533b873fe1ef96bd12d4d89
RESEARCH PRODUCT
On the Stability and Formation of Pillar[n]arenes: a DFT Study
Jorge EscorihuelaHan ZuilhofHan ZuilhofHan ZuilhofAndrew C.-h. Suesubject
CrystallographyChemistryKineticsOrganic ChemistryPillarLife ScienceRing (chemistry)Organische ChemieQuímica orgànicaVLAGdescription
The increased use of both pillar[5]arenes and pillar[6]arenes, stimulated by increasingly efficient syntheses of both, has brought forward the question as to what drives the intermediates in this Friedel-Crafts ring formation to form a pillar[5]arene, a pillar[6]arene, or any other sized macrocycle. This study sets out to answer this question by studying both the thermodynamics and kinetics involved in the absence and presence of templating solvents using high-end wB97XD/6-311G(2p,2d) DFT calculations.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2021-10-22 |