Assistant Professor, Department of Chemistry, Dum Dum Motijheel College, 1, Motijheel Avenue, Kolkata – 700 074. Email: sumana1206@gmail.com
Online published on 27 January, 2017.
The order of acidic character of hydrogen halides is re-investigated by means of Hartree-Fock and B3LYP theoretical methods. Changes in energy for various steps in dissociation of H-X molecules (for X = F, Cl and Br) have been calculated and analyzed on the basis of geometric and electronic parameters. The results have also been discussed in the light of electronegativity concept proposed by Pauling.
Hydrogen halides, acidic strength, theoretical study
