Journal or Book Title
Journal of Physical Chemistry A
The kinetic stability with respect to dissociation to two NO molecules was studied for several high-energy isomers of N2O2 using multiconfigurational wave functions. All of these isomers are 50−80 kcal/mol higher in energy than 2NO. Three N2O2 isomers (a four-membered D2hisomer, a planar C2v isomer, and a bicyclic C2v isomer) are found to be kinetically stable: the estimated barriers to dissociation are about 40 kcal/mol for the D2h isomer and about 20 kcal/mol for each of the other two isomers. Reaction paths for their dissociation were determined using the intrinsic reaction coordinate method and multiconfigurational wave functions.
American Chemical Society
Chaban, Galina; Gordon, Mark S.; and Nguyen, Kiet A., "Potential Energy Surfaces for Dissociation Reactions of High-Energy Isomers of N2O2" (1997). Chemistry Publications. 318.