Thermal electron attachment to van der Waals molecules containing O/sub 2/

Journal Article · Sat Dec 15 04:00:00 EST 1984 · J. Chem. Phys.; (United States)

OSTI ID:5993871

Huo, W M; Fessenden, R W; Bauschlicher, Jr, C W

Calculations on O/sub 2/xN/sub 2/ and O/sup -//sub 2/xN/sub 2/ have been carried out to explain the large enhancement in the attachment rate of thermal electrons found in van der Waals molecules containing O/sub 2/. Two geometries, T-shape and linear, are used. SCF wave functions are used to represent both the neutral molecule and the ion. The incoming electron is approximated by a plane wave. The width is determined using a shielded polarization potential. The effect of additional vibrational structures of the van der Waals molecule on the attachment process is investigated by studying the O/sub 2/--N/sub 2/ stretching mode using Lennard-Jones potentials. Symmetry breaking, which allows the molecule to attach a p wave electron, is shown to play a primary role. The lowering of resonance energy, due to a deeper Lennard-Jones potential of O/sup -//sub 2/xN/sub 2/ in comparison with O/sub 2/xN/sub 2/, furthers the enhancement. The calculated attachment rate is comparable to that determined by Shimamori and Fessenden, but differs from the recent values obtained by Toriumi and Hatano, who used a different set of reactions to interpret their data.

• Research Organization: Radiation Laboratory and Department of Chemistry, University of Notre Dame, Notre Dame, Indiana 46556
• OSTI ID: 5993871
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 81:12; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
ADDUCTS
CHEMICAL REACTION KINETICS
COMPLEXES
ELECTRON ATTACHMENT
ELEMENTS
KINETICS
NITROGEN
NONMETALS
OXYGEN
REACTION KINETICS
SELF-CONSISTENT FIELD
VAN DER WAALS FORCES