Negative ion formation through dissociative electron attachment to the group IV tetrachlorides: Carbon tetrachloride, silicon tetrachloride and germanium tetrachloride

R Kumar T P, B Brynjarsson, B Ómarsson, M Hoshino, H Tanaka, P Limao-Vieira, Darryl Jones, Michael Brunger, O Ingolfsson

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

The current contribution constitutes the third and final part of our trilogy of papers on electron attachment reactions of the group IV tetrahalides; XY4 (X = C, Si, Ge and Y = F, Cl, Br). In this context we extend our previous studies on XF4 and XBr4 and report results for electron attachment to the tetrachlorides: CCl4, SiCl4 and GeCl4 in the incident electron energy range from about 0 to 10 eV. At the same time we give a summary of the currently available literature on electron interactions with those latter compounds. Upon electron attachment the formation of Cl, XCl3, XCl2 and Cl2 is observed from all the tetrachlorides, and additionally the molecular anion SiCl4 is observed from SiCl4. The main DEA contributions are observed through narrow, threshold peaks (at 0 eV) and we attribute these features to single particle resonances associated with the a1 symmetry LUMOs of those compounds. Contributions from another low-lying resonance, which we assign as a 2T2 shape resonance associated with the t2 symmetry LUMO+1, is also observed in the ion yield curves for all the tetrachlorides. The energy of the peak position of those contributions varies in the range from about 1 to 2 eV, depending on the compound and the fragment formed. In addition to these low energy contributions, higher energy, fairly broad, features are observed for all the tetrachlorides. These contributions exhibit a peak in the energy range between 5 and 8 eV, again depending on the compound and the fragment formed. Further to the experimental data, we report DFT and coupled cluster calculations on the thermochemical thresholds for the individual fragments as well as the respective bond dissociation energies and electron affinities. These calculated values are compared with the experimental appearance energies and literature values, where they are available.

Original languageEnglish
Pages (from-to)12-28
Number of pages17
JournalInternational Journal of Mass Spectrometry
Volume426
DOIs
Publication statusPublished - 2018

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