A Configurationally Stable Helical Indenofluorene

• DOI: 10.1021/acs.orglett.4c02128
• Publication Date: 2024-07-05T11:26:26Z
• Authors: Álvaro Martínez-P...; Luis Lezama; Juan M. Cuerva; Raquel Casares; Víctor Blanco; Carlos M. Cruz; Alba Millán

We report the synthesis and study of the optoelectronic, magnetic, and chiroptical properties of a helically chiral diradicaloid based on dibenzoindeno[2,1-c]fluorene. The molecule shows a small HOMO-LUMO gap and a moderate singlet-triplet gap, which agrees with the results of DFT calculations. The helical structure of the compound, confirmed by X-ray diffraction, is configurationally stable, which allows the isolation of both enantiomers and the evaluation of the chiroptical properties (ECD).