Detection of diheptacendiyl diradical intermediate in the cycloreversion of diheptacene to heptacene

Abstract

Cycloreversion of diheptacenes, the covalently bound dimers of heptacene, in the solid state produces heptacene. In addition, diheptacendiyl diradical can be detected by ESR spectroscopy. The diradical has a small singlet–triplet energy gap of −0.02 kJ mol⁻¹ (−4.8 × 10⁻³ kcal mol⁻¹) in favor of the singlet state and is persistent in solid heptacene.