In: The Journal of Chemical Physics, 2015, vol. 142, no. 18, p. 184307
Detailed experimental information on the motion of a nuclear packet on a complex (resonant) anion potential surface is obtained by measuring 2-dimensional (2D) electron energy loss spectra. The cross section is plotted as a function of incident electron energy, which determines which resonant anion state is populated, i.e., along which normal coordinate the wave packet is launched, and of the...
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In: Physical Chemistry Chemical Physics, 2015, vol. 17, no. 6, p. 4696–4700
The effect which deformation of the double bond in trans-cyclooctene (TCO), compared to cis-cyclooctene (CCO), has on its negative ion – and indirectly on the π* virtual orbital – was studied by electron-impact spectroscopy. Differential elastic and vibrational excitation cross sections were measured at a scattering angle of θ = 135°. The vertical attachment energy (VAE) derived from the...
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In: Physical Chemistry Chemical Physics, 2015, p. -
The technique of low energy (0–30 eV) electron impact spectroscopy, originally developed for gas phase molecules, is applied to room temperature ionic liquids (IL). Electron energy loss (EEL) spectra recorded near threshold, by collecting 0–2 eV electrons, are largely continuous, assigned to excitation of a quasi-continuum of high overtones and combination vibrations of low-frequency modes....
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In: The Journal of Chemical Physics, 2015, vol. 142, no. 14, p. 144312
We report a very detailed test of the ab initio discrete momentum representation (DMR) method of calculating vibrational excitation of polyatomic molecules by electron impact, by comparison of its results with an extensive set of experimental data, covering the entire range of scattering angles from 10∘ to 180∘ and electron energies from 0.4 to 20 eV. The DMR calculations were carried out by...
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In: Physical Review A, 2015, vol. 91, no. 1, p. 012707
We measured differential cross sections for exciting the three lowest electronically excited states in furan, as functions both of electron energy and of scattering angle. Emphasis of the present work is on recording detailed excitation functions, revealing resonances in the excitation process. The cross section for the first triplet state has a shoulder in the first 2 eV above threshold,...
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In: Molecular Physics, 2013, p. -
The electronic structure of TEMPO (2,2,6,6-Tetramethylpiperidine-N-oxyl) and its cation and anion were studied experimentally using the electron spectroscopy techniques, dissociative electron attachment (DEA) spectroscopy, electron energy-loss spectroscopy, measurement of elastic and vibrational excitation (VE) cross sections and HeI photoelectron spectroscopy. The experiments were supplemented...
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In: Physical Review A - Atomic, Molecular and Optical Physics, 2012, vol. 86, no. 6, p. 062709
The discrete-momentum-representation theory with short-range correlation and polarization approximated by local-density-functional theory has been augmented by connecting the short-range potential to an asymptotic polarization tensor. The capacity of this theory to correctly describe the coupling of a free electron with nuclear motion is tested by a detailed comparison of calculated and measured...
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In: Journal of Physics: Conference Series, 2012, vol. 388, no. 5, p. 052082
We present absolute experimental cross sections for elastic scattering, vibrational excitation by electron impact and for dissociative electron attachment to 1,3-butadiyne, as well as calculations of the elastic cross sections.
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In: Physical Chemistry Chemical Physics, 2012, no. 9, p. 2979-2982
Experimental absolute cross sections for dissociative electron attachment (DEA) to Pt(PF₃)₄ are presented. Fragment anions resulting from the loss of one, two, three and four PF₃ ligands as well as the Pt(PF₃)F⁻ and the F⁻ ions were observed. The parent anion Pt(PF₃)⁻₄ is too short-lived to be detected. The dominant process is loss of one ligand, with a very large cross section...
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In: Physical Chemistry Chemical Physics, 2011, vol. 13, p. 20939-20945
Singlet and triplet excited states of trans-azobenzene have been measured in the gas phase by electron energy loss spectroscopy (EELS). In order to interpret the strongly overlapping singlet and triplet bands in the spectra a set of large-scale correlated quantum Monte-Carlo (QMC) simulations was performed. The EELS/QMC combination of methods yields an excellent agreement between theory and...
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