Theoretical Aspects of The Activation and Its Access to The Activation Energies of Gas Phase Chemical Reactions

Abstract

Various bonds in molecules accumulate energies under rising temperature until the energies are sufficient to promote dissociation. The activation energy of a chemical reaction AB → A + B and the bond dissociation energy, D(A-B) are calculated on the basis of the A―B bond stretching vibration ( cm-1 ). The activation energies, Ea = 883, 407, 249.31, and 437.7 kJmol-1 are calculated for nitrogen, hydrogen chloromethane and water respectively. The dissociation energies D(N-N) = 945.07, D(H-H) = 435.5, while for C2H5Cl the D(C-H) = 409.22 and D(C-Cl) = 341.75 kJmol-1 are also calculated. In each case, the theory confirms the experimental findings