Total cross sections for dissociative electron attachment in dichloroalkanes and selected polychloroalkanes: The correlation with vertical attachment energies | Zendy

K. Aflatooni | Zendy; P. D. Burrow | Zendy

Open Access

Total cross sections for dissociative electron attachment in dichloroalkanes and selected polychloroalkanes: The correlation with vertical attachment energies

Author(s) -

K. Aflatooni,

P. D. Burrow

Publication year - 2000

Publication title -

the journal of chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.071

H-Index - 357

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/1.481963

Subject(s) - antibonding molecular orbital , ion , chemistry , atomic orbital , atomic physics , electron , molecular orbital , electron capture , molecule , crystallography , molecular physics , physics , organic chemistry , quantum mechanics

Electron attachment into the lowest unoccupied molecular orbital of a typical polychloroalkane in the gas phase forms a temporary negative ion in which the impinging electron resides on a combination of local C–Cl σ* orbitals. Because of the antibonding character of these orbitals, these anions may dissociate, producing Cl− with cross sections that vary enormously over the chloroalkane family. In this work, we present absolute total dissociative electron attachment (DEA) cross sections for 33 of these compounds, and we show that the peak values of the cross sections correlate strongly with the vertical attachment energies (VAEs) for formation of the lowest anion states at the equilibrium geometries of the neutral molecules. This behavior is a consequence of the remarkably monotonic dependence of the resonance widths of the temporary anion states on VAE over the range 0.42

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