# Relating Radical Delocalization, Charge Transfer, and Magnetic Ground State in Acene-Derived Oxyradicals

## TL;DR

This paper explores how functional groups and radical delocalization affect the magnetic properties of acene-derived oxyradicals.

## Contribution

A facile synthesis route and systematic analysis of open-shell acene derivatives to understand π-magnetism.

## Key findings

- Functional groups influence spin densities and magnetic ground states in acene derivatives.
- Radical delocalization and charge transfer at interfaces affect π-magnetism.
- The number and distribution of functional groups play a key role in determining magnetic properties.

## Abstract

At the same time that our capabilities to synthesize
open-shell
carbon-based materials are rapidly growing with the development of
on-surface synthesis under vacuum conditions, interest in π-magnetism
is rising due to its excellent prospects for potential applications.
As a result, increasing efforts are being focused on the detailed
understanding of open-shell carbon nanostructures and all of the parameters
that determine their spin densities and magnetic ground states. Here
we present a facile route to synthesize different open-shell acene
derivatives with closely related structures by the addition of functional
groups. A systematic comparison allows us to draw conclusions on the
role of the functional groups and their number and distribution, as
well as on the role of the radical state delocalization in relation
with the presence or absence of charge transfer at interfaces, which
consequently affects the molecule’s π-magnetism.