EXPERIMENTAL AND THEORETICAL STUDIES OF REACTIONS BETWEEN H ATOMS AND CARBANIONS OF INTERSTELLAR RELEVANCE

Journal Article · Wed Nov 10 00:00:00 EST 2010 · Astrophysical Journal

DOI:https://doi.org/10.1088/0004-637X/723/2/1325· OSTI ID:21471257

Zhibo, Yang; Eichelberger, Brian; Carpenter, Marshall Y; Martinez, Oscar; Bierbaum, Veronica M ^[1]

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

The recent detection of molecular anions in the interstellar medium (ISM) has highlighted the need for laboratory studies of negative ion chemistry. Hydrogen atoms are the most abundant atomic species in the ISM, and the chemistry of H atoms with anions may contribute to molecular synthesis in interstellar clouds. This work is a combined experimental and computational study of a series of anions reacting with H atoms by associative detachment (A{sup -} + H {yields} AH + e {sup -}). The anions include deprotonated nitriles (CH{sub 2}CN{sup -}, CH{sub 3}CHCN{sup -}, and (CH{sub 3}){sub 2}CCN{sup -}), acetaldehyde (HC(O)CH{sub 2} {sup -}), acetone (CH{sub 3}C(O)CH{sub 2} {sup -}), ethyl acetate (CH{sub 3}CH{sub 2}OC(O)CH{sub 2} {sup -}), methanol (CH{sub 3}O{sup -}), and acetic acid (CH{sub 3}CO{sub 2} {sup -}). 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 mechanism and investigate the factors influencing reaction efficiencies, which are largely proportional to reaction exothermicities. Other factors influencing reaction efficiencies include the charge density on the reactive site of the anion, the characteristics of the potential energy surfaces along the approach of the reactants, and angular momentum conservation of the anion-H atom collision.

• OSTI ID: 21471257
• Journal Information: Astrophysical Journal, Vol. 723, Issue 2; Other Information: DOI: 10.1088/0004-637X/723/2/1325; ISSN 0004-637X
• Country of Publication: United States
• Language: English

Related Subjects

79 ASTROPHYSICS
COSMOLOGY AND ASTRONOMY
ACETALDEHYDE
ACETATES
ACETIC ACID
ACETONE
AFTERGLOW
ANGULAR MOMENTUM
ANIONS
ATOM COLLISIONS
CHARGE DENSITY
HYDROGEN
INTERSTELLAR GRAINS
METHANOL
NITRILES
POTENTIAL ENERGY
REACTION KINETICS
ALCOHOLS
ALDEHYDES
CARBOXYLIC ACID SALTS
CARBOXYLIC ACIDS
CHARGED PARTICLES
COLLISIONS
ELEMENTS
ENERGY
HYDROXY COMPOUNDS
IONS
KETONES
KINETICS
MONOCARBOXYLIC ACIDS
NONMETALS
ORGANIC ACIDS
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
PARTICLES