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Université de Fribourg

Absolute cross sections for electron collisions with diacetylene: elastic scattering, vibrational excitation and dissociative attachment

Allan, Michael ; May, Olivier ; Fedor, Juraj ; Ibǎnescu, Bogdan C ; Andrić, Lidija ; Winstead, Carl ; McKoy, Vincent

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.

Université de Fribourg

Uptake of atmospheric molecules by ice nanoparticles: Pickup cross sections

Lengyel, J. ; Kočišek, J. ; Poterya, V. ; Pysanenko, A. ; Svrčková, P. ; Fárník, M. ; Zaouris, D. K. ; Fedor, Juraj

In: Journal of Chemical Physics, 2012, vol. 137, p. 034304

Uptake of several atmospheric molecules on free ice nanoparticles was investigated. Typical examples were chosen: water, methane, NOx species (NO, NO₂), hydrogen halides (HCl, HBr), and volatile organic compounds (CH₃OH, CH₃CH₂OH). The cross sections for pickup of these molecules on ice nanoparticles (H₂O)N with the mean size of ***Missing image...

Université de Fribourg

Oxidation of sterols: energetics of C–H and O–H bond cleavage

Lengyel, Jozef ; Rimarčík, Ján ; Vagánek, Adam ; Fedor, Juraj ; Lukeš, Vladimír ; Klein, Erik

In: Food Chemistry, 2012, vol. 133, no. 4, p. 1435–1440

Phytosterols, as components of human diet, received much attention because of their cholesterol-lowering and antioxidant properties. We have theoretically studied sterols oxidation in terms of O–H and C–H bond dissociation enthalpies (BDE). In 17 Δ⁵- and Δ⁷-sterols, BDEs were obtained for reported sites of oxidation attack. Obtained results indicate that Δ⁷-sterols are more...

Université de Fribourg

Absolute angle-differential vibrational excitation cross sections for electron collisions with diacetylene

Allan, Michael ; May, Olivier ; Fedor, Juraj ; Ibănescu, Bogdan C. ; Andric, L.

In: Physical Review A, 2011, vol. 83, p. 052701

Absolute vibrational excitation cross sections were measured for diacetylene (1,3-butadiyne). The selectivity of vibrational excitation reveals detailed information about the shape resonances. Excitation of the C≡C stretch and of double quanta of the C-H bend vibrations reveals a ²Πu resonance at 1 eV (autodetachment width ~30 meV) and a ²Πg resonance at 6.2 eV...

Université de Fribourg

Absolute dissociative electron attachment cross sections in acetylene and its deuterated analogue

May, Olivier ; Fedor, Juraj ; Allan, Michael

In: Chimia, 2010, vol. 64, no. 3, p. 173-176

An instrument for the measurement of absolute dissociative electron attachment cross sections was constructed and applied to two prototype molecules, acetylene (C₂H₂) and deuterated acetylene (C₂D₂). The isotope effect at the first dissociative electron attachment band at 3 eV was determined-the cross section for C₂D⁻/C₂D₂ is 14.4 times smaller than that for C₂H⁻/C₂H₂. The...

Université de Fribourg

Electron scattering in HCl: An improved nonlocal resonance model

Fedor, Juraj ; Winstead, C. ; McKoy, V. ; Čížek, M. ; Houfek, K. ; Kolorenč, P. ; Horáček, J.

In: Physcial Review A, 2010, vol. 31, no. 4, p. 042702

We present an improved nonlocal resonance model for electron-HCl collisions. The short-range part of the model is fitted to ab initio electron-scattering eigenphase sums calculated using the Schwinger multichannel method, while the long-range part is based on the ab initio potential-energy curve of the bound anion HCl-. This model significantly improves the agreement of nonlocal resonance...

Université de Fribourg

Improved nonlocal resonance model for electron – HCl collisions

Fedor, Juraj ; Kolorenč, P. ; Čižek, M. ; Horáček, J. ; Winstead, C. ; McKoy, V.

In: Journal of Physics: Conference Series, 2009, vol. 194, p. 052036

We present an improved nonlocal resonance model for electron-HCl collisions. The short-range part of the model is based on ab-initio electron scattering eigenphase sums calculated using the Schwinger Multichannel method and the long-range part on the potential curve of the bound HCl⁻ anion. We have calculated cross sections for vibrational excitation and dissociative electron attachment....

Université de Fribourg

Low-energy electron attachment to the dichlorodifluoromethane (CCl₂F₂) molecule

Graupner, K. ; Haughey, S. A. ; Field, T. A. ; Mayhew, C. A. ; Hoffmann, T. H. ; May, Olivier ; Fedor, Juraj ; Allan, Michael ; Fabrikant, Ilya I. ; Illenberger, E. ; Braun, M. ; Ruf, M.-W. ; Hotop, Hartmut

In: The Journal of Physical Chemistry A, 2010, vol. 114, no. 3, p. 1474–1484

Results from a joint experimental study of electron attachment to dichlorodifluoromethane (CCl₂F₂) molecules in the gas phase are reported. In a high resolution electron beam experiment involving two versions of the laser photoelectron attachment method, the relative cross section for formation of the dominant anion Cl⁻ was measured over the energy range 0.001−1.8 eV at the gas...

Université de Fribourg

Isotope effect in dissociative electron attachment to acetylene

May, Olivier ; Fedor, Juraj ; Allan, Michael

In: Physical Review A, 2009, vol. 80, no. 1, p. 012706

Absolute partial cross sections for dissociative electron attachment to H–C≡C–H and D–C≡C–D have been measured using a time-of-flight ion spectrometer combined with a trochoidal electron monochromator. For C₂H₂ the present data are in good agreement with the total cross sections measured previously in our laboratory using the total ion-collection method. The present measurements...