Two empirical formulae for estimating standard entropy of inorganic ionic solids and a possible connection between two associated electronic structure principles

Kaya, Savaş ; Chattaraj, P.K. ; Serdaroğlu, Goncagül (2021) Two empirical formulae for estimating standard entropy of inorganic ionic solids and a possible connection between two associated electronic structure principles Polyhedron, 202 . p. 115207. ISSN 02775387

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Official URL: http://doi.org/10.1016/j.poly.2021.115207

Related URL: http://dx.doi.org/10.1016/j.poly.2021.115207

Abstract

Two empirical formulae for estimating the standard entropies of some inorganic ionic solids are proposed. Linear relations are suggested between the standard entropy and the cube root of the formula unit volume as well as the cube root of the diamagnetic susceptibility, building a bridge between conceptual density functional theory and solid state chemistry. It is noted that the stabilities of inorganic ionic crystals are closely related to their molar diamagnetic susceptibilities. The suggested correlation provides a connection between the maximum entropy and minimum magnetizability principles.

Item Type:Article
Source:Copyright of this article belongs to Elsevier Ltd
Keywords:Minimum magnetizability principle;Maximum entropy principle;Inorganic crystals;Standard absolute entropy;Magnetic susceptibility
ID Code:133475
Deposited On:29 Dec 2022 04:03
Last Modified:29 Dec 2022 04:03

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