Statistics – Computation
Scientific paper
Dec 2011
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2011iaus..280..383b&link_type=abstract
The Molecular Universe, Proceedings of the International Astronomical Union, IAU Symposium, Volume 280, p. 383-389
Statistics
Computation
Negative Ions, Gas Phase Reactions, Associative Detachment, Reaction Rate Constants, Flowing Afterglow-Selected Ion Flow Tube
Scientific paper
The astronomical detection of molecular anions has prompted our study of their chemical reactions with atomic species that are abundant in the interstellar medium. We have recently explored the chemistry of a variety of Cx Ny- anions with hydrogen atoms and determined their reaction rate constants and products using the flowing afterglow-selected ion flow tube technique. Computational studies allow characterization of the structures of reactants and products, as well as the energetics along the reaction pathway. For anions containing one or two nitrogen atoms, reactions with hydrogen atoms are facile, and proceed primarily by associative detachment. In contrast, anions containing three nitrogen atoms are unreactive with hydrogen atoms due to reaction barriers and unfavorable thermodynamics.
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