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Université de Fribourg

Coupling of electronic and nuclear motion in a negative ion resonance: Experimental and theoretical study of benzene

Allan, Michael ; Čurík, Roman ; Čársky, Petr

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...

Université de Fribourg

Dissociative electron attachment and electronic excitation in Fe(CO)5

Allan, Michael ; Lacko, M. ; Papp, P. ; Matejčík, Š. ; Zlatar, Matija ; Fabrikant, Ilya I. ; Kočišek, J. ; Fedor, Juraj

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...

Université de Fribourg

Shape and core-excited resonances in thiophene

Loupas, Alexandra ; Regeta, Khrystyna ; Allan, Michael ; Gorfinkiel, Jimena D.

In: The Journal of Physical Chemistry A, 2018, vol. 122, no. 4, p. 1146–1155

We present a comprehensive study of resonance formation in electron collisions with thiophene. Detailed calculations have been performed using the ab initio R-matrix method. Absolute differential cross sections for electron impact excitation up to 18 eV and for two scattering angles, 90 and 135°, have been measured. Agreement between the calculated and measured experimental cross sections is...

Université de Fribourg

Recent research directions in Fribourg: nuclear dynamics in resonances revealed by 2-dimensional EEL spectra, electron collisions with ionic liquids and electronic excitation of pyrimidine

Allan, Michael ; Regeta, Khrystyna ; Gorfinkiel, Jimena D. ; Mašín, Zdeněk ; Grimme, Stefan ; Bannwarth, Christoph

In: The European Physical Journal D, 2016, vol. 70, no. 5, p. 1–7

The article briefly reviews three subjects recently investigated in Fribourg: (i) electron collisions with surfaces of ionic liquids, (ii) two-dimensional (2D) electron energy loss spectra and (iii) resonances in absolute cross sections for electronic excitation of unsaturated compounds. Electron energy loss spectra of four ionic liquids revealed a number of excited states, including triplet...

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, no. 5, 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

Low-energy electron attachment to SF₆ molecules: Vibrational structure in the cross-section for SF₆⁻ formation up to 1 eV

Braun, M. ; Ruf, M.-W. ; Hotop, Hartmut ; Allan, Michael

In: Chemical Physics Letters, 2006, vol. 419, p. 517–522

In high resolution electron attachment to SF₆, cusp structure due to interchannel coupling has been observed in the cross-section for SF₅⁻ formation at the thresholds for vibrational excitation of the SF₆(v₁) mode up to v₁ = 10. It is superimposed on the broad band peaking around 0.55 eV which has been previously attributed to attachment into a repulsive potential...

Université de Fribourg

The assignment of dissociative electron attachment bands in compounds containing hydroxyl and amino groups

Skalický, Tomás ; Allan, Michael

In: Journal of Physics B: Atomic, Molecular and Optical Physics, 2004, vol. 37, p. 4849-4859

Dissociative electron attachment (DEA) spectra were recorded for methanol, phenol, diethylamine, tetramethylhydrazine, piperazine, pyrrole and N,N-dimethylaniline. Comparison with He I photoelectron spectra permitted the assignment of virtually all DEA bands in the saturated compounds to core excited Feshbach resonances with double occupation of Rydberg-like orbitals and various Koopmans' states...

Université de Fribourg

Transitions between the ²Π₁͵₂ and ²Π₁͵₃ spin-orbit components of NO induced by impact of slow electrons

Allan, Michael

In: Physical Review Letters, 2004, vol. 93, p. 063201-63204

The electron impact cross section for the transition between the ²Π₁͵₂ and ²Π₁͵₃ spin-orbit components of the ground electronic term of nitric oxide, separated by 15 meV, has been measured as a function of electron energy at a scattering angle of Θ= 135°. It is dominated by the ³Σ⁻ and the ¹Δ resonances. Its magnitude is very large, at peak about equal to that of the elastic...

Université de Fribourg

Excitation of the four fundamental vibrations of CH₄ by electron impact near threshold

Allan, Michael

In: Journal of Physics B: Atomic, Molecular and Optical Physics, 2005, vol. 38, p. 1679

Absolute differential elastic and vibrational excitation cross sections have been measured for CH₄ at 90° and from 0.1 to 1.5 eV, with the resolution of all four vibrational modes. Threshold peaks were observed in the excitation of the ν1, ν3 and ν4 modes, but not in the ν2 mode. These results are in good agreement with the recent calculation of Nishimura and Gianturco (2002 J. Phys. B:...