High-Spin Porphyrin Polyradicals.

ABSTRACT: We propose metal-free, open-shell porphyrins with at least full diradical or tetraradical characters, high-spin ground states, and highly delocalized unpaired electrons obtained via minimal modifications of porphine. Since many functional (bio)-organic compounds lack sufficient pro-aromatic parts to allow seamless aromaticity-induced polyradical design, we impose the lower-bound number of unpaired electrons by tailoring the topology of π-conjugation. The presented method, Topologically Rational Assembly of Polyradicals (TRAP), is useful for designing multifunctional magnetic compounds for organic electronics, spintronics, biosensors, single-molecule devices, etc. The TRAP method transcends classes of π-conjugated compounds, thus allowing the design of polyradicals from bioorganic conjugate

SUBMITTER: Betkhoshvili S 

PROVIDER: S-EPMC12824932 | biostudies-literature | 2026 Jan

REPOSITORIES: biostudies-literature