Huckel molecular-orbital theory

Huckel pi-electron theory for conjugated molecules: the 4n+2 aromaticity rule checked against computed spectra, resonance (delocalization) energies, the Coulson and Frost-circle closed forms, and Fukui’s frontier-orbital reactivity index.

Huckel’s 4n+2 aromaticity rule from the computed pi spectrum

Huckel's 4n+2 aromaticity rule from the computed pi spectrum

Pauling’s resonance energy as Huckel delocalization energy

Pauling's resonance energy as Huckel delocalization energy

Coulson’s polyene formula and the Frost circle

Coulson's polyene formula and the Frost circle

Fukui’s frontier orbitals: why naphthalene reacts at the alpha position

Fukui's frontier orbitals: why naphthalene reacts at the alpha position