EXPERIMENTAL AND THEORETICAL STUDIES OF REACTIONS BETWEEN H ATOMS AND NITROGEN-CONTAINING CARBANIONS

Journal Article · Tue Sep 20 04:00:00 EDT 2011 · Astrophysical Journal

DOI:https://doi.org/10.1088/0004-637X/739/1/19; COUNTRY OF INPUT: INTERNATIONAL ATOMIC ENERGY AGENCY (IAEA)· OSTI ID:21587545

Zhibo, Yang; Cole, Callie A; Martinez, Oscar Jr; Carpenter, Marshall Y; Bierbaum, Veronica M ^[1]

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1. Department of Chemistry and Biochemistry, University of Colorado, Boulder, CO 80309 (United States)

Nitrogen-containing organic compounds are important in the interstellar medium (ISM). The detection of some corresponding anions, C{sub n} N{sup -} (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{sub n} N{sup -} (n = 1-6), C{sub n} N{sub 2}{sup -} (n = 1, 3-5), and C{sub n} N{sub 3}{sup -} (n = 2, 4), and reactions mainly proceed through associative detachment (A{sup -} + H {yields} AH + e{sup -}) 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{sub n} N{sup -} (n = 1-6) and C{sub n} N{sub 2}{sup -} (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{sub n} N{sub 3}{sup -} (n = 2, 4) anions are unreactive, such that they may exist in H atom rich regions in the ISM.

• OSTI ID: 21587545
• Journal Information: Astrophysical Journal, Journal Name: Astrophysical Journal Journal Issue: 1 Vol. 739; ISSN ASJOAB; ISSN 0004-637X
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
ANGULAR MOMENTUM
ANIONS
ATOM COLLISIONS
CARBON COMPOUNDS
CHARGED PARTICLES
COLLISIONS
ELEMENTS
HYDROGEN
ION COLLISIONS
ION-ATOM COLLISIONS
IONS
KINETICS
NONMETALS
ORGANIC COMPOUNDS
REACTION KINETICS