Molecular and Spin Structures of a Through‐Space Conjugated Triradical System

Abstract

Abstract A through‐space conjugated multi‐phenalenyl triradical 1 a has been prepared and characterized. Partial occupancy of doubly degenerate molecular orbitals in 1 a leads to Jahn–Teller distortion, creating a molecular skeleton in which C 2 v doublet states are lower in energy than undistorted D 3 h doublet and quartet states. Triradical 1 a exists in an acute form in the solution state, whereas it adopts a preferred obtuse form in the solid state. The results of the investigation show that these two distorted forms are reversibly interconverted by thermal energy.

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