Electron attachment to molecules in a cluster environment

The Journal of Chemical Physics
I I FabrikantJ D Gorfinkiel

Abstract

Low-energy dissociative electron attachment (DEA) to the CF(2)Cl(2) and CF(3)Cl 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 CF(2)Cl(2) molecule placed on the surface of H(2)O 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.

References

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Citations

May 7, 2013·Physical Chemistry Chemical Physics : PCCP·Stanislav A Pshenichnyuk, Alberto Modelli
Mar 8, 2013·The Journal of Chemical Physics·E R MillerE T Jensen
May 17, 2014·The Journal of Chemical Physics·M SmythI I Fabrikant
Aug 12, 2014·The Journal of Chemical Physics·Eliane M de OliveiraMárcio H F Bettega
Aug 12, 2015·The Journal of Physical Chemistry Letters·Stanislav A Pshenichnyuk, Alexei S Komolov
May 2, 2016·The Journal of Chemical Physics·T C FreitasM H F Bettega
Jan 11, 2017·The Journal of Physical Chemistry. B·Stanislav A Pshenichnyuk, Alexei S Komolov
Jan 24, 2017·Chemical Reviews·Thomas J MillarThomas A Field
Dec 18, 2012·Physical Chemistry Chemical Physics : PCCP·Alberto Modelli, Stanislav A Pshenichnyuk
Jul 25, 2017·The Journal of Chemical Physics·Agnieszka Sieradzka, Jimena D Gorfinkiel
Feb 11, 2021·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Spyridon A KalospyrosAlexandros G Georgakilas

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Methods Mentioned

BETA
elastic
electron scattering

Software Mentioned

GAMESS

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