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Aflatooni K, Gallup GA, Burrow PD. Dissociative electron attachment in nonplanar chlorocarbons with pi*/sigma*-coupled molecular orbitals. J Chem Phys. 2010;132(9):094306doi: 10.1063/1.3319751.
Aflatooni, K., Gallup, G. A., & Burrow, P. D. (2010). Dissociative electron attachment in nonplanar chlorocarbons with pi*/sigma*-coupled molecular orbitals. The Journal of chemical physics, 132(9), 094306. https://doi.org/10.1063/1.3319751
Aflatooni, K, et al. "Dissociative electron attachment in nonplanar chlorocarbons with pi*/sigma*-coupled molecular orbitals." The Journal of chemical physics vol. 132,9 (2010): 094306. doi: https://doi.org/10.1063/1.3319751
Aflatooni K, Gallup GA, Burrow PD. Dissociative electron attachment in nonplanar chlorocarbons with pi*/sigma*-coupled molecular orbitals. J Chem Phys. 2010 Mar 07;132(9):094306. doi: 10.1063/1.3319751. PMID: 20210397.
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J Chem Phys. 2010 Mar 07;132(9):094306. doi: 10.1063/1.3319751.

Dissociative electron attachment in nonplanar chlorocarbons with pi*/sigma*-coupled molecular orbitals.

The Journal of chemical physics

K Aflatooni, G A Gallup, P D Burrow

Affiliations

  1. Department of Physics and Astronomy, University of Nebraska-Lincoln, Lincoln, Nebraska 68588-0111, USA.

PMID: 20210397 DOI: 10.1063/1.3319751

Abstract

Total absolute cross sections for the dissociative electron attachment (DEA) process are reported for a series of nonplanar ethylenic and phenylic compounds monosubstituted with (CH(2))(n)Cl groups, where n=1-4. Coupling between the local pi* molecular orbitals provided by the unsaturated moieties and the sigma* (C-Cl) orbital is thus examined as a function of the separation of these groups. In particular, the coupling is viewed from the perspective of the interacting temporary negative ions formed by short lived occupation of these orbitals and their decay into the DEA channel. A theoretical treatment of "remote" bond breaking, presented elsewhere, satisfactorily accounts for DEA in the chloroethylenic compounds presented here and emphasizes not only the delocalization of the coupled anionic wave functions but the importance of their relative phases. The dependence of the cross sections on the vertical attachment energies, measured by electron transmission spectroscopy, is also explored and compared to that found previously in chlorinated alkanes.

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