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Research Paper | Physics Science | Iraq | Volume 5 Issue 7, July 2016

Study of Spectroscopic and Thermal Properties for PbS Molecule

Hind A. Mohammed | Najlaa M. Hadi

Abstract: In present work, we studied the spectroscopic and thermodynamic properties for (PbS) molecule. This study included the potential of bonds (Pb-S). The results showed that the spectral dissociation energy for (PbS) molecule which was (11.722 (ev)) and the vibration modes for the molecule were studied. From the results, the high occupied molecular orbital (HOMO) calculated equals (-8.9810eV), respectively, also we calculated the total charge density and electrostatic potential in 2-D and 3-D. The Thermodynamic properties behavior have been studied as a function of temperatures in the range (100-1000) K. The results show that the heat of formation, enthalpy, heat capacity and entropy are increasing with increase the temperature, while Gibbs energy was decrease with the increasing the temperature.

Keywords: Thermodynamic properties, PbS, molecule, Gibbs energy, HOMO

Edition: Volume 5 Issue 7, July 2016,

Pages: 1843 - 1847

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