Calculated absolute cross-sections for the electron-induced detachment of the B2-, O2-, BO-, and CN- anions using the Deutsch-Märk (DM) formalism

H. Deutsch; K. Becker; M. Probst; W. Zhu; T. D. Märk

doi:10.1016/j.ijms.2008.04.027

Calculated absolute cross-sections for the electron-induced detachment of the B₂^-, O₂^-, BO^-, and CN^- anions using the Deutsch-Märk (DM) formalism

H. Deutsch, K. Becker, M. Probst, W. Zhu, T. D. Märk

Research output: Contribution to journal › Article › peer-review

Abstract

We report calculations of the cross-sections for electron impact detachment of the diatomic anions B₂^-, O₂^-, BO^-, and CN^- using the DM formalism. The calculations use 'ionic' weighting factors to adequately represent the ionic character of the target and in each case a Mulliken population analysis of the anion and the neutral molecule was carried out in an effort to localize the 'extra' electron in the anion compared to the neutral molecule. When compared with available experimental data, the calculated DM cross-sections were found to exceed the measured data by factors ranging from 1.6 to 5.5.

Original language	English (US)
Pages (from-to)	151-154
Number of pages	4
Journal	International Journal of Mass Spectrometry
Volume	277
Issue number	1-3
DOIs	https://doi.org/10.1016/j.ijms.2008.04.027
State	Published - Nov 1 2008

Keywords

Anion
Cross-section calculations
Electron-impact detachment
Molecular ion

ASJC Scopus subject areas

Instrumentation
Condensed Matter Physics
Spectroscopy
Physical and Theoretical Chemistry

Access to Document

10.1016/j.ijms.2008.04.027

Cite this

@article{449963bbed4443c0baa84e23a2daaec3,

title = "Calculated absolute cross-sections for the electron-induced detachment of the B2-, O2-, BO-, and CN- anions using the Deutsch-M{\"a}rk (DM) formalism",

abstract = "We report calculations of the cross-sections for electron impact detachment of the diatomic anions B2-, O2-, BO-, and CN- using the DM formalism. The calculations use 'ionic' weighting factors to adequately represent the ionic character of the target and in each case a Mulliken population analysis of the anion and the neutral molecule was carried out in an effort to localize the 'extra' electron in the anion compared to the neutral molecule. When compared with available experimental data, the calculated DM cross-sections were found to exceed the measured data by factors ranging from 1.6 to 5.5.",

keywords = "Anion, Cross-section calculations, Electron-impact detachment, Molecular ion",

author = "H. Deutsch and K. Becker and M. Probst and W. Zhu and M{\"a}rk, {T. D.}",

note = "Funding Information: This work was carried out within the Association EURATOM-{\"O}AW. The content of the publication is the sole responsibility of its publishers and it does not necessarily represent the views of the EU Commission or its services. It was partially supported by the FWF, Wien, Austria. KB and WZ acknowledge partial financial support from the Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences, US Department of Energy. ",

year = "2008",

month = nov,

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doi = "10.1016/j.ijms.2008.04.027",

language = "English (US)",

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journal = "International Journal of Mass Spectrometry",

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T1 - Calculated absolute cross-sections for the electron-induced detachment of the B2-, O2-, BO-, and CN- anions using the Deutsch-Märk (DM) formalism

AU - Deutsch, H.

AU - Becker, K.

AU - Probst, M.

AU - Zhu, W.

AU - Märk, T. D.

N1 - Funding Information: This work was carried out within the Association EURATOM-ÖAW. The content of the publication is the sole responsibility of its publishers and it does not necessarily represent the views of the EU Commission or its services. It was partially supported by the FWF, Wien, Austria. KB and WZ acknowledge partial financial support from the Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences, US Department of Energy.

PY - 2008/11/1

Y1 - 2008/11/1

N2 - We report calculations of the cross-sections for electron impact detachment of the diatomic anions B2-, O2-, BO-, and CN- using the DM formalism. The calculations use 'ionic' weighting factors to adequately represent the ionic character of the target and in each case a Mulliken population analysis of the anion and the neutral molecule was carried out in an effort to localize the 'extra' electron in the anion compared to the neutral molecule. When compared with available experimental data, the calculated DM cross-sections were found to exceed the measured data by factors ranging from 1.6 to 5.5.

AB - We report calculations of the cross-sections for electron impact detachment of the diatomic anions B2-, O2-, BO-, and CN- using the DM formalism. The calculations use 'ionic' weighting factors to adequately represent the ionic character of the target and in each case a Mulliken population analysis of the anion and the neutral molecule was carried out in an effort to localize the 'extra' electron in the anion compared to the neutral molecule. When compared with available experimental data, the calculated DM cross-sections were found to exceed the measured data by factors ranging from 1.6 to 5.5.

KW - Anion

KW - Cross-section calculations

KW - Electron-impact detachment

KW - Molecular ion

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