In: The Journal of Chemical Physics, 2019, vol. 151, no. 6, p. 064119
We present calculated and measured elastic and vibrational excitation cross sections in benzene with the objective to assess the reliability of the theoretical method and to shed more light on how the electronic motion of the incoming electron is coupled with the nuclear motion of the vibrations. The calculation employed the discrete momentum representation method which involves solving the...
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In: Physical Chemistry Chemical Physics, 2018, vol. 20, no. 17, p. 11692–11701
In a combined experimental and theoretical study we characterize dissociative electron attachment (DEA) to, and electronically excited states of, Fe(CO)5. Both are relevant for electron-induced degradation of Fe(CO)5. The strongest DEA channel is cleavage of one metal–ligand bond that leads to production of Fe(CO)4−. High- resolution spectra of Fe(CO)4− reveal fine structures at the...
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In: The Journal of Physical Chemistry C, 2016, vol. 120, no. 19, p. 10667–10674
Electron induced chemistry of metal-containing precursor molecules is central in focused electron beam induced deposition (FEBID). While some elementary processes leading to precursor decomposition were quantitatively characterized, data for neutral dissociation is missing. We provide this data for the model precursor Pt(PF3)4 by using the available cross sections for electronic excitation...
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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: The Journal of Physical Chemistry A, 2014, vol. 118, no. 41, p. 9734–9744
We have measured and calculated differential and integral cross sections for elastic and vibrationally inelastic electron scattering by diacetylene molecules at electron energies from 0.5 to 20 eV in the whole range of scattering angles from 0 to 180°. The calculations were carried out using the discrete momentum representation method (DMR), which is based on the two-channel Lippmann–Schwinger...
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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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