دراسة وحساب بعض الخصائص الحرارية لجزيئة SiF بأستخدام برامج الكم شبه التجريبية وبطريقة (MNDO-PM3 )

Abstract

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.