Structural Index of (Anti)aromaticity for Polycyclic Hydrocarbons in the Triplet State: HOMA or HOMER?

Puntos clave

• This research aims to evaluate the structural indices of (anti)aromaticity in polycyclic hydrocarbons, particularly in triplet states.
• Reparametrization of the harmonic oscillator model of aromaticity (HOMA)
• Testing derived HOMER on monocycles
• Assessment of (anti)aromaticity in polycyclic compounds
• HOMER demonstrates improved accuracy over HOMA for excited states
• Clear differentiation of (anti)aromatic character in polycyclic compounds