A semi-empirical approach for the cohesive energy of the Alkali Halides

  • Rabia Ahmad*
  • , Qamer Faisal
  • , M. Z.Rahman Khan
  • *Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

Many formulae are available for the cohesive energy of the alkali halides. These have many terms and the predictions of most of these are not very accurate. We give a semi-empirical formula for the cohesive energy of the alkali halides, except the Cs halides because three of these differ in structure from the other members of the alkali halides. Our formula consists of only three terms. It is more accurate than the seven formulae presented here, yet it is the simplest of these. If only the first term is taken, its prediction should be sufficient for most ordinary purposes. More importantly, the treatment gives an insight into the physics of the ionic compounds. However, that does not, in any way, diminish the value of the microscopic treatments. For the purpose of comparing the different formulae, a Χ2 is constructed on the plausible basis that the cohesive energy data may be inaccurate upto the extent of 1%. However, the Χ2 should still serve as a reliable index for comparison if the inaccuracy is different from 1%.

Original languageEnglish
Pages (from-to)633-638
Number of pages6
JournalOriental Journal of Chemistry
Volume27
Issue number2
StatePublished - Apr 2011
Externally publishedYes

Keywords

  • Alkali halides
  • Cohesive energy
  • Comparative study
  • Our formula
  • Theoretical formulae
  • Χ-basis

ASJC Scopus subject areas

  • General Chemistry
  • Biochemistry
  • Environmental Chemistry
  • Drug Discovery

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