Searching for double σ- and π-aromaticity in borazine derivatives
Ricardo Pino‐Rios, Alejandro Vásquez‐Espinal, Osvaldo Yáñez, William Tiznado
Abstract
Evolutionary algorithms, Born–Oppenheimer molecular dynamics and the magnetic criteria of aromaticity have been used to evaluate the stability and σ–π aromaticity of borazine derivatives in order to expand the family of double aromatics systems.
Topics & Concepts
BorazineAromaticityChemistryComputational chemistryOrganic chemistryMoleculeBoron nitrideSynthesis and Properties of Aromatic CompoundsCrystallography and molecular interactionsFullerene Chemistry and Applications