Formation and Decomposition of Chemically Activated and Stabilized Hydrazine
Rubik Asatryan, Joseph W Bozzelli, Gabriel da Silva, Saartje Swinnen, Minh Tho Nguyen
JOURNAL OF PHYSICAL CHEMISTRY A | AMER CHEMICAL SOC | Published : 2010
Recombination of two amidogen radicals, NH(2) (X(2)B1), is relevant to hydrazine formation, ammonia oxidation and pyrolysis, nitrogen reduction (fixation), and a variety of other N/H/X combustion, environmental, and interstellar processes. We have performed a comprehensive analysis of the N(2)H(4) potential energy surface, using a variety of theoretical methods, with thermochemical kinetic analysis and master equation simulations used to treat branching to different product sets in the chemically activated NH(2) + NH(2) process. For the first time, iminoammonium ylide (NH(3)NH), the less stable isomer of hydrazine, is involved in the kinetic modeling of N(2)H(4). A new, low-energy pathway is..View full abstract
Awarded by US Army Research Office
Funding provided by the US Army Research Office (grant Nos. W911NF0410120 and W911NF0710106) administered under Robert Shaw and Douglas Kiserow and fruitful discussions with William Anderson are deeply acknowledged.