Absolute cross sections for electronic excitation of pyrimidine by electron impact
- Regeta, Khrystyna Department of Chemistry, University of Fribourg, Switzerland
- Allan, Michael Department of Chemistry, University of Fribourg, Switzerland
- Mašín, Zdeněk Max-Born Institute for Nonlinear Optics and Short Pulse Spectroscopy, Berlin, Germany
- Gorfinkiel, Jimena D. Department of Physical Sciences, The Open University, Walton Hall, Milton Keynes, United Kingdom
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14.01.2016
Published in:
- The Journal of Chemical Physics. - 2016, vol. 144, no. 2, p. 024302
English
We measured differential cross sections for electron-impact electronic excitation of pyrimidine, both as a function of electron energy up to 18 eV, and of scattering angle up to 180°. The emphasis of the present work is on recording detailed excitation functions revealing resonances in the excitation process. The differential cross sections were summed to obtain integral cross sections. These are compared to results of R-matrix calculations, which successfully reproduce both the magnitude of the cross section and the major resonant features. Comparison of the experiment to the calculated contributions of different symmetries to the integral cross section permitted assignment of several features to specific core-excited resonances. Comparison of the resonant structure of pyrimidine with that of benzene revealed pronounced similarities and thus a dominant role of π–π∗excited states and resonances. Electron energy lossspectra were measured as a preparation for the cross section measurements and vibrational structure was observed for some of the triplet states. A detailed analysis of the electronic excited states of pyrimidine is also presented.
- Faculty
- Faculté des sciences et de médecine
- Department
- Département de Chimie
- Language
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- English
- Classification
- Chemistry
- License
- License undefined
- Identifiers
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- RERO DOC 258338
- DOI 10.1063/1.4939077
- Persistent URL
- https://folia.unifr.ch/unifr/documents/304670
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