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

F. H. Ómarsson, B. Reynisson, M. J. Brunger, M. Hoshino, H. Tanaka, P. Limão-Vieira, O. Ingólfsson

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

As a part of our efforts to characterize the electron attachment reactions of the group IV tetrahalides, XY4 (X = C, Si, Ge and Y = F, Cl, Br) we here follow up on our previous study on XF4 and report electron attachment to the tetrabromides: CBr4, SiBr4 and GeBr 4 in the incident electron energy range from about 0 to 10 eV. The formation of Br-, XBr3 -, XBr2 - and Br2 - is observed from all these compounds, and additionally the molecular anion is observed from SiBr 4. The main DEA contributions from CBr4 and GeBr 4 are observed through a low lying resonance, which we assign as a T2 shape resonance associated with a single occupation of the t 2 symmetry LUMO+1 of these molecules. This resonance is also apparent in the ion yield from SiBr4, but there the main contributions are the molecular anion and Br- in a narrow energy range peaking at 0 eV. We attribute these 0 eV contributions to a vibrational Feshbach resonance associated with the a1 symmetry LUMO. Further resonances are observed, for all the compounds investigated here, in the energy range between 3 and 6 eV. To establish the thermochemical thresholds for the individual channels we have conducted DFT calculations from which we report the threshold values, bond dissociation energies and electron affinities for individual fragments and their neutral precursors. These values are compared to values in the literature where available, and discussed in the context of our experimental results.

Original languageEnglish
Pages (from-to)275-280
Number of pages6
JournalInternational Journal of Mass Spectrometry
Volume365-366
Issue numberSI
DOIs
Publication statusPublished - 15 May 2014

Fingerprint

Germanium
electron attachment
Silicon
negative ions
germanium
Negative ions
Carbon
Electrons
carbon
silicon
Anions
anions
Electron affinity
thresholds
symmetry
electron affinity
Discrete Fourier transforms
occupation
affinity
energy

Keywords

  • Bond dissociation energies
  • Carbon tetrabromide
  • Dissociative electron attachment
  • Electron affinities
  • Germanium tetrabromides
  • Silicon tetrabromide

Cite this

@article{4aedfc44b24847a397255878d4bfcde2,
title = "Negative ion formation through dissociative electron attachment to the group IV tetrabromides: Carbon tetrabromide, silicon tetrabromide and germanium tetrabromide",
abstract = "As a part of our efforts to characterize the electron attachment reactions of the group IV tetrahalides, XY4 (X = C, Si, Ge and Y = F, Cl, Br) we here follow up on our previous study on XF4 and report electron attachment to the tetrabromides: CBr4, SiBr4 and GeBr 4 in the incident electron energy range from about 0 to 10 eV. The formation of Br-, XBr3 -, XBr2 - and Br2 - is observed from all these compounds, and additionally the molecular anion is observed from SiBr 4. The main DEA contributions from CBr4 and GeBr 4 are observed through a low lying resonance, which we assign as a T2 shape resonance associated with a single occupation of the t 2 symmetry LUMO+1 of these molecules. This resonance is also apparent in the ion yield from SiBr4, but there the main contributions are the molecular anion and Br- in a narrow energy range peaking at 0 eV. We attribute these 0 eV contributions to a vibrational Feshbach resonance associated with the a1 symmetry LUMO. Further resonances are observed, for all the compounds investigated here, in the energy range between 3 and 6 eV. To establish the thermochemical thresholds for the individual channels we have conducted DFT calculations from which we report the threshold values, bond dissociation energies and electron affinities for individual fragments and their neutral precursors. These values are compared to values in the literature where available, and discussed in the context of our experimental results.",
keywords = "Bond dissociation energies, Carbon tetrabromide, Dissociative electron attachment, Electron affinities, Germanium tetrabromides, Silicon tetrabromide",
author = "{\'O}marsson, {F. H.} and B. Reynisson and Brunger, {M. J.} and M. Hoshino and H. Tanaka and P. Lim{\~a}o-Vieira and O. Ing{\'o}lfsson",
note = "This work was conducted under the support of the Icelandic Centre for Research (RANNIS), and the University of Iceland Research Fund. M.J.B. thanks the Australian Research Council for some financial support through the Centre for Antimatter-Matter Studies and H.T. and M.H. acknowledge the Japanese Ministry of Education, Sport, Culture and Technology. P.L.-V. acknowledges the PEst-OE/FIS/UI0068/2011 grant and his Visiting Professor position at Sophia University, Tokyo, Japan. F.H.O. acknowledges the Eimskip University Fund, for the award of a PhD grant. We also acknowledge the COST ACTION MP1002. Finally, the authors thank Ragnheidur Gudbrandsdottir and Benedikt Omarsson for running the calculations.",
year = "2014",
month = "5",
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language = "English",
volume = "365-366",
pages = "275--280",
journal = "International Journal of Mass Spectrometry",
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}

Negative ion formation through dissociative electron attachment to the group IV tetrabromides: Carbon tetrabromide, silicon tetrabromide and germanium tetrabromide. / Ómarsson, F. H.; Reynisson, B.; Brunger, M. J.; Hoshino, M.; Tanaka, H.; Limão-Vieira, P.; Ingólfsson, O.

In: International Journal of Mass Spectrometry, Vol. 365-366, No. SI, 15.05.2014, p. 275-280.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Negative ion formation through dissociative electron attachment to the group IV tetrabromides: Carbon tetrabromide, silicon tetrabromide and germanium tetrabromide

AU - Ómarsson, F. H.

AU - Reynisson, B.

AU - Brunger, M. J.

AU - Hoshino, M.

AU - Tanaka, H.

AU - Limão-Vieira, P.

AU - Ingólfsson, O.

N1 - This work was conducted under the support of the Icelandic Centre for Research (RANNIS), and the University of Iceland Research Fund. M.J.B. thanks the Australian Research Council for some financial support through the Centre for Antimatter-Matter Studies and H.T. and M.H. acknowledge the Japanese Ministry of Education, Sport, Culture and Technology. P.L.-V. acknowledges the PEst-OE/FIS/UI0068/2011 grant and his Visiting Professor position at Sophia University, Tokyo, Japan. F.H.O. acknowledges the Eimskip University Fund, for the award of a PhD grant. We also acknowledge the COST ACTION MP1002. Finally, the authors thank Ragnheidur Gudbrandsdottir and Benedikt Omarsson for running the calculations.

PY - 2014/5/15

Y1 - 2014/5/15

N2 - As a part of our efforts to characterize the electron attachment reactions of the group IV tetrahalides, XY4 (X = C, Si, Ge and Y = F, Cl, Br) we here follow up on our previous study on XF4 and report electron attachment to the tetrabromides: CBr4, SiBr4 and GeBr 4 in the incident electron energy range from about 0 to 10 eV. The formation of Br-, XBr3 -, XBr2 - and Br2 - is observed from all these compounds, and additionally the molecular anion is observed from SiBr 4. The main DEA contributions from CBr4 and GeBr 4 are observed through a low lying resonance, which we assign as a T2 shape resonance associated with a single occupation of the t 2 symmetry LUMO+1 of these molecules. This resonance is also apparent in the ion yield from SiBr4, but there the main contributions are the molecular anion and Br- in a narrow energy range peaking at 0 eV. We attribute these 0 eV contributions to a vibrational Feshbach resonance associated with the a1 symmetry LUMO. Further resonances are observed, for all the compounds investigated here, in the energy range between 3 and 6 eV. To establish the thermochemical thresholds for the individual channels we have conducted DFT calculations from which we report the threshold values, bond dissociation energies and electron affinities for individual fragments and their neutral precursors. These values are compared to values in the literature where available, and discussed in the context of our experimental results.

AB - As a part of our efforts to characterize the electron attachment reactions of the group IV tetrahalides, XY4 (X = C, Si, Ge and Y = F, Cl, Br) we here follow up on our previous study on XF4 and report electron attachment to the tetrabromides: CBr4, SiBr4 and GeBr 4 in the incident electron energy range from about 0 to 10 eV. The formation of Br-, XBr3 -, XBr2 - and Br2 - is observed from all these compounds, and additionally the molecular anion is observed from SiBr 4. The main DEA contributions from CBr4 and GeBr 4 are observed through a low lying resonance, which we assign as a T2 shape resonance associated with a single occupation of the t 2 symmetry LUMO+1 of these molecules. This resonance is also apparent in the ion yield from SiBr4, but there the main contributions are the molecular anion and Br- in a narrow energy range peaking at 0 eV. We attribute these 0 eV contributions to a vibrational Feshbach resonance associated with the a1 symmetry LUMO. Further resonances are observed, for all the compounds investigated here, in the energy range between 3 and 6 eV. To establish the thermochemical thresholds for the individual channels we have conducted DFT calculations from which we report the threshold values, bond dissociation energies and electron affinities for individual fragments and their neutral precursors. These values are compared to values in the literature where available, and discussed in the context of our experimental results.

KW - Bond dissociation energies

KW - Carbon tetrabromide

KW - Dissociative electron attachment

KW - Electron affinities

KW - Germanium tetrabromides

KW - Silicon tetrabromide

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U2 - 10.1016/j.ijms.2014.01.008

DO - 10.1016/j.ijms.2014.01.008

M3 - Article

VL - 365-366

SP - 275

EP - 280

JO - International Journal of Mass Spectrometry

JF - International Journal of Mass Spectrometry

SN - 1387-3806

IS - SI

ER -