Abstract
Nitrous oxide, N2O, was observed to react with F2 under UV irradiation at −196 °C to form initially F2N2O which in accord with earlier reports from the literature decomposes above −140 °C to form N2F4 and NO. The apparently different reaction behavior of N2O toward H radicals (→H2O + N2) and F radicals (→F2N2O → N2F4 + NO) can be accounted for by thermodynamic considerations [average bond energies (kcal mol-1): O−H (114.2) > N−H (93.3); N−F (66.4) > O−F (44.7)]. A reaction mechanism for the formation and decomposition of F2N2O from N2O and F2 (present study) and from N2F4 and NO has been suggested using valence bond considerations. The structure of F2N2O was fully optimized at the electron correlated MP2(FULL)/cc-pVTZ level of theory and was shown to possess C1 symmetry. A frequency analysis clearly shows the C1 structure to represent a true minimum (NIMAG = 0), whereas the earlier reported planar Cs structure was shown to represent a first-order transition state (NIMAG = 1).
Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
