Leap from Diradicals to Tetraradicals by Topological Control of π-Conjugation.

ABSTRACT: In this work, we explore the series of diradical(oid)s based on 2,2'-(5,11-dihydroindolo[3,2-b]carbazole-3,9-diyl)dimalononitrile (further referred to as PH). Hydrogen atoms in the central benzenoid (CB) ring of PH are substituted by the series of substituents with various lengths of π-conjugated chain and electron-donating or electron-withdrawing properties to study how they modulate the diradical character of the parent compound. The diradical character of molecules increases up to 88-89% by two groups doubly bonded to both sides of the CB ring of PH in para relative positions. This breaks the direct π-conjugation between unpaired electrons that gives rise to two radical centers and restricts the minimal polyradical identity of the compound to diradical

SUBMITTER: Betkhoshvili S 

PROVIDER: S-EPMC11460765 | biostudies-literature | 2024 Oct

REPOSITORIES: biostudies-literature