High-Spin Porphyrin Polyradicals
Sergi Betkhoshvili, Jordi Poater, Ibério de P. R. Moreira, Josep Maria Bofill
TL;DR
This paper introduces a new method to design high-spin porphyrin polyradicals with potential applications in organic electronics and spintronics.
Contribution
The TRAP method enables the design of metal-free polyradicals with high-spin states by tailoring π-conjugation topology.
Findings
TRAP allows creation of porphyrin polyradicals with high-spin ground states and delocalized unpaired electrons.
The method works across various π-conjugated systems, including bioorganic compounds.
TRAP can tune magnetic properties for use in spintronics and biosensors.
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 conjugated systems and the tuning of their magnetic properties.
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Taxonomy
TopicsSynthesis and Properties of Aromatic Compounds · Porphyrin and Phthalocyanine Chemistry · Supramolecular Self-Assembly in Materials