Open AccessElectron attachment to molecules in a cluster environment
Author(s) -
I. I. Fabrikant,
Stefano Caprasecca,
G. A. Gallup,
Jimena D. Gorfinkiel
Publication year - 2012
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 - 10.1063/1.4706604
Subject(s) - random hexamer , trimer , cluster (spacecraft) , molecule , chemistry , water cluster , electron , atomic physics , ion , trapping , crystallography , hydrogen bond , physics , dimer , organic chemistry , quantum mechanics , computer science , programming language , ecology , biology
Low-energy dissociative electron attachment (DEA) to the CF2Cl2 and CF3Cl molecules in a water cluster environment is investigated theoretically. Calculations are performed for the water trimer and water hexamer. It is shown that the DEA cross section is strongly enhanced when the attaching molecule is embedded in a water cluster, and that this cross section grows as the number of water molecules in the cluster increases. This growth is explained by a trapping effect that is due to multiple scattering by water molecules while the electron is trapped in the cluster environment. The trapping increases the resonance lifetime and the negative ion survival probability. This confirms qualitatively existing experiments on electron attachment to the CF2Cl2 molecule placed on the surface of H2O ice. The DEA cross sections are shown to be very sensitive to the position of the attaching molecule within the cluster and the orientation of the electron beam relative to the cluster
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