화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.101, No.5, 840-848, 1997
Energetics of Halogen Amine Reactions with Triplet Metastables - Nfcl2 with Ar(P-3(0,2)), He(2(3)S), and N-2((3)Sigma(+)(U)) and Nf2Cl and Ncl3 with Ar(P-3(0,2))
The collisions of NFCl2 with the metastable species Ar(P-3(0.2)), He(2(3)S, 2(1)S), and N-2((3) Sigma(u)(+)) and of NF2Cl and NCl3 with Ar(P-3(0.2)) were carried out using a discharge flow system, and diatomic product channels were identified on the basis of emission from the fragments. The mechanisms for these reactions were determined from the emission spectra of the products, the energy available in the reacting species and released in the fragments, and the conservation of spin angular momentum. To carry out the energy analysis, the Delta H-form’s of NF2Cl, NFCl2, and NCl3 were calculated using G1 and G2 methods with Gaussian 94, yielding average theoretical values of -5.3, 23.0, and 48.3 kcal/mol, respectively. These values are compared to estimated experimental Delta H-form’s which have been reported for NF2Cl and NCl3.