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• W4293312685 abstract "The rate coefficient k 1 for NH 2 + N 2 H 4 was measured to be (5.4 ± 0.4) × 10 −14 cm 3 molecule −1 s −1 at 296 K. NH 2 was generated by pulsed laser photolysis of NH 3 at 193 nm, and monitored as a function of time by pulsed laser-induced fluorescence excited at 570.3 nm under pseudo-first order conditions in the presence of excess N 2 H 4 in an Ar bath gas. This reaction was also investigated computationally, with geometries and scaled frequencies obtained with M06-2X/6-311+G(2df,2p) theory, and single-point energies from CCSD(T)-F12b/cc-pVTZ-F12 theory, plus a term to correct approximately for electron correlation through CCSDT(Q). Three connected transition states are involved and rate constants were obtained via Multistructural Improved Canonical Variational Transition State Theory with Small Curvature Tunneling. Combination of experiment and theory leads to a recommended rate coefficient for hydrogen abstraction of k 1 = 6.3 × 10 −23 T 3.44 exp(+289 K/T) cm 3 molecule −1 s −1 . The minor channel for H + N 2 H 4 forming NH 2 + NH 3 was characterized computationally as well, to yield 5.0 × 10 −19 T 2.07 exp(-4032 K/T) cm 3 molecule −1 s −1 . These results are compared to several discordant prior estimates, and are employed in an overall mechanism to compare with measurements of half-lives of hydrazine in a shock tube." @default.
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• W4293312685 date "2022-08-01" @default.
• W4293312685 modified "2023-09-24" @default.
• W4293312685 title "Reactions of hydrazine with the amidogen radical and atomic hydrogen" @default.
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• W4293312685 doi "https://doi.org/10.1016/j.proci.2022.07.045" @default.
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