A new class of organic molecular magnets

TL;DR

This paper introduces a novel class of stable organic molecular magnets based on zwitterionic molecules with conjugated π bridges, demonstrating their potential for customizable molecular magnetic devices.

Contribution

It presents a new class of organic molecular magnets using first principles calculations, highlighting their stability and length-independent magnetic exchange interactions.

Findings

Identified stable organic molecular magnets with zwitterionic structures.

Demonstrated strong, local exchange interactions independent of π bridge length.

Showed potential for constructing customizable molecular magnetic devices.

Abstract

Using detailed first principles calculations, we have found a new class of stable organic molecular magnets based on zwitterionic molecules possessing donor, $\pi$ bridge, and acceptor groups. These molecules are organic molecules containing only C, H and N. The quantum mechanical nature of the magnetic properties originates from the conjugated $\pi$ bridge (involving only p electrons) where the exchange interactions between electron spin are relatively strong and local and are independent of the length of the $\pi$ bridge, enabling the easy construction of a molecular magnetic device with specified length.