Spin chemistry of sp2 nanocarbons

TL;DR

This paper explores the spin chemistry of sp2 nanocarbons, focusing on their radical stability and topokinetics through the analysis of unpaired electrons and reaction barriers, highlighting their unique topological interactions.

Contribution

It introduces a topochemical perspective on stable radicals in sp2 nanocarbons, emphasizing spin-delocalization and topokinetics as key to their radical stability.

Findings

Sp2 nanocarbons exhibit unique topokinetics related to their radical stability.

Distribution of unpaired electrons correlates with reaction barriers.

Topological interactions underpin radical properties.

Abstract

Suggested in the paper is the consideration of stable radicals of sp2 nanocarbons from the standpoint of spin-delocalized topochemistry. Characterized in terms of the total and atomically-partitioned number of effectively unpaired electrons as well as of the distribution of the latter over carbon atoms and described by selectively determined barriers of different reactions exhibiting topological essence of intermolecular interaction, sp2 nanocarbons reveal a peculiar topokinetics that lays the foundation of the stability of their radical properties.