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Emerging Trends in Chemical Engineering

Spin-Orbit Coupling, Spin-Spin, and Electric Properties of Hydrogen Fluoride Molecule (HF), Hydrogen Chloride Molecule (HCL) and Hydrogen Bromide Molecule

  1. Dhia Hamdi Al-Amiedy

Abstract

Reviews of the study of the spin-orbit coupling, spin-spin, electronic structure  and number electric properties has been carried out such as ionization potential (IP), electron affinity (EA), electronegativity (x), hardness( ), softness (S), and electrophilic (W) of hydrogen fluoride, hydrogen chloride (HCl) and hydrogen bromide (HBr) molecules by using Gaussian program 09 and Gauss view 5.08 program using density function (DFT) method  B3LYP/6-311G (d,p). It was found that the values of spin-orbit coupling of HF greater than that of HCl and HBr molecules, and the values of spin-spin of HCl  greater than that of HF and HBr molecules, beside different values of the electronic structure  and number electric properties.

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