Department of Chemistry, Dum Dum Motijheel College, 1, Motijheel Avenue, Kolkata-700074, India
*Corresponding Author: Sumana Sarkar, Assistant Professor, Department of Chemistry, Dum Dum Motijheel College, 1, Motijheel Avenue, Kolkata-700074, India, E-mail: sumana1206@gmail.com
Online published on 21 August, 2018.
Theoretical methods have been utilized to study the solvation of fluoride and chloride ions by water. The number of water molecules has been varied from one to four. Geometry optimization has been performed using B3LYP level employing two different basis sets, 6–311G++ and LanL2DZ and also HF method with 6–311G++ basis set. The results have been compared.
Salvation, fluoride, chloride, Ions
