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Author Regeta, Khrystyna ♦ Allan, Michael ♦ Mašín, Zdeněk ♦ Gorfinkiel, Jimena D.
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword ATOMIC AND MOLECULAR PHYSICS ♦ INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY ♦ BENZENE ♦ COMPARATIVE EVALUATIONS ♦ ELECTRON-MOLECULE COLLISIONS ♦ ELECTRONS ♦ ENERGY-LOSS SPECTROSCOPY ♦ EV RANGE ♦ EXCITATION ♦ EXCITATION FUNCTIONS ♦ EXCITED STATES ♦ INTEGRAL CROSS SECTIONS ♦ PYRIMIDINES ♦ R MATRIX ♦ SCATTERING ♦ TRIPLETS
Abstract 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{sup ∗} excited states and resonances. Electron energy loss spectra 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.
ISSN 00219606
Educational Use Research
Learning Resource Type Article
Publisher Date 2016-01-14
Publisher Place United States
Journal Journal of Chemical Physics
Volume Number 144
Issue Number 2


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