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


KAYA S. , Chattaraj P. K. , SERDAROĞLU G.

POLYHEDRON, vol.202, 2021 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 202
  • Publication Date: 2021
  • Doi Number: 10.1016/j.poly.2021.115207
  • Title of Journal : POLYHEDRON

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.