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We propose that the Acetylene S1 level is excited by the second photon to an acetylene dissociation precursor state, which is subjected to consecutive C-H bond-breaking to produce the C_2X state.
Source link: https://www.osti.gov/biblio/1831789
The O + C 2 H 2 reaction is the first step in acetylene oxidation. Based on approximately 85,000 ab initio points measured in this report, a full-dimensional global potential energy surface for the ground triplet state of the O + C 2 H 2 reaction is constructed based on the specifically linked polarized zeta basis set to this conclusion. Using the quasi-classical trajectory technique, the O + C 2 H2 reaction's kinetics and dynamics are investigated.
Source link: https://www.osti.gov/biblio/1598415
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