Design of an open-shell nitrogen-centered diradicaloid with tunable stimuli-responsive electronic properties.

ABSTRACT: Organic diradicaloids usually display an open-shell singlet ground state with significant singlet diradical character (y₀) which endow them with intriguing physiochemical properties and wide applications. In this study, we present the design of an open-shell nitrogen-centered diradicaloid which can reversibly respond to multiple stimuli and display the tunable diradical character and chemo-physical properties. 1a was successfully synthesized through a simple and high-yielding two-step synthetic strategy. Both experimental and calculated results indicated that 1a displayed an open-shell singlet ground state with small singlet-triplet energy gap (ΔE_S-T = -2.311 kcal mol^-1) and a modest diradical character (y₀ = 0.60). Interestingly, 1a w

SUBMITTER: Huang B 

PROVIDER: S-EPMC9814612 | biostudies-literature | 2022 Oct

REPOSITORIES: biostudies-literature