دراسة و حساب بعض الخصائص الحرارية لجزئية SiF باستخدام برامج الكم شبه التجريبية و بطريقة MNDO-PM3

الملخص EN

In this research, the some important thermal properties of vibration SiF molecule have been studied and calculated in Infra-red by using the semi-empirical theoretical programs in method (MNDO / PM3).

Also determined the Thermodynamics properties at meny degree of heating such as heat of formation is (-21.105) kcal/mol, entropy (50.136) cal / mol.K respectively for moleculer, heat capacity (7.4068) cal / mol.K, enthalpy (2.1021) cal / mol and Gibbs free energy (-15234.6) cal / mol, these properties taken at standard heating degree (298K) (degree of heat of the room) put all relation in figure with notice the variables instate of molecule, and agreement with experimental result.