ChemRxiv
These are preliminary reports that have not been peer-reviewed. They should not be regarded as conclusive, guide clinical practice/health-related behavior, or be reported in news media as established information. For more information, please see our FAQs.
1/1
0/0

How Plausible Is Getting Ferromagnetic Interactions by Coupling Blatter’s Radical via Its Fused Benzene Ring?

preprint
submitted on 19.06.2020 and posted on 23.06.2020 by Rishu Khurana, Ashima Bajaj, Md. Ehesan Ali
In an effort to obtain superior magnetic properties, all the possible isomers of di-Blatter diradical coupled through its fused benzene ring are investigated employing numerous density and wave function-based methods. It reveals that the energetically stable and also experimentally reported diradicals are anti-ferromagnetic in nature due to dominant coexisting exchange interactions between the strongly localized micro-magnetic radical centers. However, due to strong steric hindrance in certain cases, the exchange interaction switches from anti-ferromagnetic to weak ferromagnetic interactions. Moreover, we propose the modified version of spin alternation rule, called here as zonal spin alternation rule, which can be applied successfully to predict exchange interactions in such diradicals.

History

Email Address of Submitting Author

ashima.ph17226@inst.ac.in

Institution

Institute of Nano Science and Technology

Country

India

ORCID For Submitting Author

0000-0002-1179-063X

Declaration of Conflict of Interest

There are no conflicts of interest.

Exports