Experimental and Theoretical Studies of Reactions between H atoms and Nitrogen-containing Carbanions

Details Experimental and Theoretical Studies of Reactions between H atoms and Nitrogen-containing Carbanions Experimental and Theoretical Studies of Reactions between H atoms and Nitrogen-containing Carbanions

Sep 2011

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2011apj...739...19y&link_type=abstract

The Astrophysical Journal, Volume 739, Issue 1, article id. 19 (2011).

Astronomy and Astrophysics

Astronomy

Astrochemistry, Ism: Clouds, Ism: Molecules, Methods: Laboratory

Scientific paper

Nitrogen-containing organic compounds are important in the interstellar medium (ISM). The detection of some corresponding anions, C n N- (n = 1, 3, 5), highlights the importance of laboratory studies of their chemistry, especially with the most abundant atomic species in the ISM, hydrogen atom. This work is a combined experimental and computational study of a series of nitrogen-containing carbanions reacting with H atoms. The anions include C n N- (n = 1-6), C n N2 - (n = 1, 3-5), and C n N3 - (n = 2, 4), and reactions mainly proceed through associative detachment (A- + H → AH + e -) or fragmentation pathways. Experimental measurements of the reaction rate constants were made with the flowing afterglow-selected ion flow tube technique. Ab initio theoretical calculations were carried out to explore the reaction mechanisms and investigate the factors determining reactivities. Reaction is mainly determined by the characteristics of the potential energy surfaces along the approach of the reactants. In addition, angular momentum conservation of the anion-H atom collision may have the universal effect of decreasing the reaction efficiencies. Our results indicate that C n N- (n = 1-6) and C n N2 - (n = 1, 3-5) can be destroyed in reactions with H atoms by either forming the corresponding neutral monohydride compound or fragmenting into smaller anionic and neutral species. However, C n N3 - (n = 2, 4) anions are unreactive, such that they may exist in H atom rich regions in the ISM.

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