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A relationship between magnetizability and chemical potential

Hiteshi Tandon, Sandip Kumar Rajak, Tanmoy Chakraborty, and Vandana Suhag

Department of Chemistry, Manipal University Jaipur, Jaipur, India

 

E-mail: hiteshitandon@yahoo.co.in

Received: 15 August 2020  Accepted: 27 November 2020

Abstract:

Abstract

Magnetizability (ξ) and chemical potential (μ) are two valuable atomic and molecular descriptors of reactivity. They play a valuable role in studying chemical/magnetic interactions and deducing the fate of a species/reaction. In view of this, a connection has been explored between these properties employing polarizability (α) as a reference. It is expected that the relation amongst these descriptors would assist in gaining more specific and advanced knowledge about the reactivity and stability of almost every species and their associated interactions. According to the present study, atoms and molecules with high chemical potential will have high magnetizability and vice versa, similar to polarizability. The proposed relationship is in accordance with the Minimum Magnetizability Principle as well, since chemical potential also prefers a minimum value like magnetizability.

Graphic abstract

Keywords: Chemical potential; Polarizability; Periodic descriptor; Density functional theory (DFT); Reactivity descriptor; Minimum magnetizability principle (MMP)

Full paper is available at www.springerlink.com.

DOI: 10.1007/s11696-020-01458-x

 

Chemical Papers 75 (6) 2331–2337 (2021)

Wednesday, July 17, 2024

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