# High-Spin Porphyrin Polyradicals

## 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.

## Key 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.