Reaction Dynamics of NH2+OH on an Interpolated Potential Energy Surface

A potential energy surface, describing the behavior of the title reaction, has been constructed by interpolation of ab initio data. H2O, NH, HON, HNO, NH3, O, H2NO, cis or trans-HONH, H products, two vibrationally energized NH2OH* and NH3O* adducts were observed. The reaction probabilities, effective cross sections, and branching ratios for different channels are reported. The rate constant for the formation of the NH2OH* is calculated as a function of effective cross section and is compared with the available data in the literature. The calculated QCT rate constant for the formation of NH2OH was found to be lower than that reported in our previous study (J. Phys. Chem. A, 113, 12961, 2009) based on the RRKM method with steady state assumption for the formation of energized adducts that could be due to the lack of the stabilization process in QCT calculations.