دراسة الخواص الطيفية و الحرارية لجزيئية ثاني أوكسيد الفسفور PO2 و دراسة تأثير الاصرة (P-O)‎ في هذه الخواص الطيفية

Abstract EN

In This research a Spectroscopic complement and Thermodynamic properties for molecule PO2 were studied .

That included a calculation of potential energy .

From the curve of total energy for molecule at equilibrium distance , for bond (P-O), the degenerated of bond energy was (4.332eV) instate of the vibration modes of ( PO2 ) molecule and frequency that was found active in IR spectra because variable inpolarization and dipole moment for molecule.

Also we calculate some thermodynamic parameters of ( PO2 ) such as heat of formation , enthalpy , heat Of capacity , entropy and gibb's free energy Were ( -54.16 kcal/mol , 2366.45 kcal/mol , 10.06 kcal /k/mol , 59.52 kcal /k /mol, -15370.51 kcal / mol ) respectively under condition of room temperature and atmosphere pressure ( 298 k , 1 atm.).

We calculate there parameters at various temperature from ( 100 – 3000 ) K .

It was found that the obtainded results were in a good agreement with previous experimental facts.