A stable open-shell peri-hexacene with remarkable diradical character.

ABSTRACT: [n]Peri-acenes ([n]PA) have attracted great interest as promising candidates for nanoelectronics and spintronics. However, the synthesis of large [n]PA (n > 4) is extremely challenging due to their intrinsic open-shell radical character and high reactivity. Herein, we report the successful synthesis and isolation of a derivative (1) of peri-hexacene in crystalline form. The structure of 1 is unequivocally confirmed by X-ray crystallographic analysis. Its ground state, aromaticity and photophysical properties are systematically studied by both experimental methods and theoretical calculations. Although the parent peri-hexacene is calculated to have a very large diradical character (y₀ = 94.5%), 1 shows reasonable stability (t_1/2 = 24 h under ambient conditions) due to

SUBMITTER: Zhang J 

PROVIDER: S-EPMC11696272 | biostudies-literature | 2025 Jan

REPOSITORIES: biostudies-literature