Quinonoid radial π-conjugation

Bhattacharjee, Rameswar [Department of Chemistry and Institute of Soft Matter, Georgetown University, 37th and O Streets, NW, Washington, DC, 20057-1227, USA] (ORCID:0000000266315991); Tovar, John D. [Department of Chemistry, and Department of Materials Science and Engineering, Johns Hopkins University, 3400 North Charles Street, Baltimore, MD, 21218, USA] (ORCID:0000000296502210); Kertesz, Miklos [Department of Chemistry and Institute of Soft Matter, Georgetown University, 37th and O Streets, NW, Washington, DC, 20057-1227, USA] (ORCID:0000000279303260)

doi:10.1039/d5sc00639b

DOE OSTI · 2563450

Quinonoid radial π-conjugation

Bhattacharjee, Rameswar [Department of Chemistry and Institute of Soft Matter, Georgetown University, 37th and O Streets, NW, Washington, DC, 20057-1227, USA] (ORCID:0000000266315991)·Tovar, John D. [Department of Chemistry, and Department of Materials Science and Engineering, Johns Hopkins University, 3400 North Charles Street, Baltimore, MD, 21218, USA] (ORCID:0000000296502210)·Kertesz, Miklos [Department of Chemistry and Institute of Soft Matter, Georgetown University, 37th and O Streets, NW, Washington, DC, 20057-1227, USA] (ORCID:0000000279303260)

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Abstract

Radially π-conjugated macrocycles with mixed aromatic and quinonoid units display a level crossing as a function of composition. Near the level crossing with a specific composition a triplet biradical state is more stable than the singlet.

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Bhattacharjee, Rameswar [Department of Chemistry and Institute of Soft Matter, Georgetown University, 37th and O Streets, NW, Washington, DC, 20057-1227, USA] (ORCID:0000000266315991), Tovar, John D. [Department of Chemistry, and Department of Materials Science and Engineering, Johns Hopkins University, 3400 North Charles Street, Baltimore, MD, 21218, USA] (ORCID:0000000296502210), Kertesz, Miklos [Department of Chemistry and Institute of Soft Matter, Georgetown University, 37th and O Streets, NW, Washington, DC, 20057-1227, USA] (ORCID:0000000279303260). 2025-01-01. Quinonoid radial π-conjugation. https://doi.org/10.1039/d5sc00639b

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