Please login first
Stefano Stranges   Professor  Senior Scientist or Principal Investigator 
Timeline See timeline
Stefano Stranges published an article in March 2018.
Top co-authors See all
Fabrizio Innocenti

287 shared publications

K. C. Prince

241 shared publications

Robert Richter

209 shared publications

Sincrotrone Trieste, Area Science Park, 34149 Basovizza,Trieste,Italy

Marzio Rosi

147 shared publications

University of Perugia

Mauro Stener

146 shared publications

38
Publications
19
Reads
0
Downloads
255
Citations
Publication Record
Distribution of Articles published per year 
(1970 - 2018)
Total number of journals
published in
 
20
 
Publications See all
Article 1 Read 2 Citations Double photoionization of propylene oxide: A coincidence study of the ejection of a pair of valence-shell electrons Stefano Falcinelli, Franco Vecchiocattivi, Michele Alagia, L... Published: 21 March 2018
The Journal of Chemical Physics, doi: 10.1063/1.5024408
DOI See at publisher website
ABS Show/hide abstract
Propylene oxide, a favorite target of experimental and theoretical studies of circular dichroism, was recently discovered in interstellar space, further amplifying the attention to its role in the current debate on protobiological homochirality. In the present work, a photoelectron-photoion-photoion coincidence technique, using an ion-imaging detector and tunable synchrotron radiation in the 18.0–37.0 eV energy range, permits us (i) to observe six double ionization fragmentation channels, their relative yields being accounted for about two-thirds by the couple (C2H4+, CH2O+) and one-fifth by (C2H3+, CH3O+); (ii) to measure thresholds for their openings as a function of photon energy; and (iii) to unravel a pronounced bimodality for a kinetic-energy-released distribution, fingerprint of competitive non-adiabatic mechanisms.
Article 2 Reads 1 Citation Anisotropic forces and molecular dynamics Fernando Pirani, Stefano Falcinelli, Franco Vecchiocattivi, ... Published: 31 January 2018
Rendiconti Lincei. Scienze Fisiche e Naturali, doi: 10.1007/s12210-018-0668-9
DOI See at publisher website
ABS Show/hide abstract
The focus of the present work is on the detailed characterization of the most relevant components of the intermolecular interaction, which determine anisotropic force fields driving the molecular dynamics under a variety of conditions. This target is here achieved by combining in a unifying picture the results of different type of experiments, probing complementary aspects of the intermolecular interactions involved. In particular, the analysis of high-resolution scattering data led to an accurate evaluation of the strength and anisotropy of non-covalent interaction components, due to the balance of size (or Pauli) repulsion with dispersion and induction attraction, to which electrostatic contributions must be added. Moreover, for the complete representation of the intermolecular interaction other components of covalent (chemical) nature, mostly affected by charge (electron) transfer effects, must be properly taken into account. Particular attention has been recently devoted to some experimental findings probing in detail the strength, range, anisotropy and role of the charge transfer effects. Obtained results have been important to develop suitable analytical representations for the potential energy surfaces (PESs), tested and improved by exploiting also the comparison with results of ab initio calculations, useful to provide an internally consistent description of the intermolecular interaction both in the most and less stable configurations of the interacting system. The complete and appropriate formulation of the PESs must be then considered crucial not only to describe the dynamics of elementary processes occurring in interstellar medium and in planetary atmospheres, but also to control equilibrium and non-equilibrium phenomena of applied interest, as those occurring in combustion, flames and plasmas.
Article 2 Reads 2 Citations Methane production by CO 2 hydrogenation reaction with and without solid phase catalysis Stefano Falcinelli, Andrea Capriccioli, Fernando Pirani, Fra... Published: 01 December 2017
Fuel, doi: 10.1016/j.fuel.2017.07.109
DOI See at publisher website
CONFERENCE-ARTICLE 5 Reads 0 Citations The Role of Molecular Dications in Planetary Atmospheric Escape Stefano Falcinelli, Fernando Pirani, Michele Alagia, Luca Sc... Published: 16 July 2016
The 1st International Electronic Conference on Atmospheric Sciences, doi: 10.3390/ecas2016-B004
DOI See at publisher website
ABS Show/hide abstract

Fundamental properties of multiply charged molecular ions, such as energetics, structure, stability, lifetime and fragmentation dynamics, are relevant to understand and to model the behavior of gaseous plasmas as well as ionosphere and astrophysical environments. Experimental determinations of the Kinetic Energy Released (KER) for ions originating from dissociations reactions, induced by Coulomb explosion of doubly charged molecular ions (molecular dications) produced by double photoionization of CO2, N2O and C2H2 molecules of interest in planetary atmospheres, are reported. The KER measurement as a function of the ultraviolet (UV) photon energy in the range of 28-65 eV are extracted from the electron-ion-ion coincidence spectra obtained by using tunable synchrotron radiation coupled with ion imaging techniques at the ELETTRA Synchrotron Light Laboratory Trieste, Italy. These experiments allow assessing the probability of escape for simple ionic species in the upper atmosphere of Mars, Venus and Titan. The measured KER in the case of H+, C+, CH+, CH2+, N+, O+, CO+, N2+ and NO+ fragment ions are ranging between 1.0 and 5.5 eV, being large enough to allow these ionic species in participating in the atmospheric escape from such planets into space.

Article 1 Read 1 Citation A Study of H 2 O 2 with Threshold Photoelectron Spectroscopy (TPES) and Electronic Structure Calculations: Redeterminati... Luca Schio, Edmond P. F. Lee, Stefano Stranges, Michele Alag... Published: 14 April 2016
The Journal of Physical Chemistry A, doi: 10.1021/acs.jpca.6b01039
DOI See at publisher website
PubMed View at PubMed
ABS Show/hide abstract
In this work, hydrogen peroxide has been studied with threshold photoelectron (TPE) spectroscopy and photoelectron (PE) spectroscopy. The TPE spectrum has been recorded in the 10.0-21.0 eV ionization energy region, and the PE spectrum has been recorded at 21.22 eV photon energy. Five bands have been observed which have been assigned on the basis of UCCSD(T)-F12/VQZ-F12 and IP-EOM CCSD calculations. Vibrational structure has only been resolved in the TPE spectrum of the first band, associated with the X̃(2)Bg H2O2(+) ← X̃(1)A H2O2 ionization, on its low energy side. This structure is assigned with the help of harmonic Franck-Condon factor calculations that use the UCCSD(T)-F12a/VQZ-F12 computed adiabatic ionization energy (AIE), and UCCSD(T)-F12a/VQZ-F12 computed equilibrium geometric parameters and harmonic vibrational frequencies for the H2O2 X̃(1)A state and the H2O2(+) X̃(2)Bg state. These calculations show that the main vibrational structure on the leading edge of the first TPE band is in the O-O stretching mode (ω3) and the HOOH deformation mode (ω4), and comparison of the simulated spectrum to the experimental spectrum gives the first AIE of H2O2 as (10.685 ± 0.005) eV and ω4 = (850 ± 30) and ω3 = (1340 ± 30) cm(-1) in the X̃(2)Bg state of H2O2(+). Contributions from ionization of vibrationally excited levels in the torsion mode have been identified in the TPE spectrum of the first band and the need for a vibrationally resolved TPE spectrum from vibrationally cooled molecules, as well as higher level Franck-Condon factors than performed in this work, is emphasized.
Article 1 Read 2 Citations Experimental and theoretical XPS and NEXAFS studies of N-methylacetamide and N-methyltrifluoroacetamide Cui Li, Peter Salén, Vasyl Yatsyna, Luca Schio, Raimund Feif... Published: 01 January 2016
Physical Chemistry Chemical Physics, doi: 10.1039/C5CP06441D
DOI See at publisher website
PubMed View at PubMed
ABS Show/hide abstract
Experimental and theoretical spectra of N -methylacetamide and N -methyltrifluoroacetamide at the K-edges are reported. Experimental Near-Edge X-ray Absorption Fine-Structure (NEXAFS) spectra of N -methyltrifluoroacetamide (FNMA), which is a peptide model system, measured at the C, N, O and F K-edges are reported. The features in the spectra have been assigned by Static-Exchange (STEX) calculations. Using the same method, we have also assigned previously measured NEXAFS spectra of another peptide model system, N -methylacetamide (NMA). To facilitate the NEXAFS feature assignments, X-ray Photoelectron Spectroscopy (XPS) measurements for NMA and FNMA have been carried out with the aim of obtaining the 1s electron ionization potentials, which are compared with the values predicted by our Hartree–Fock (ΔHF) and Multi Configuration Self Consistent Field (ΔMCSCF) calculations. We also demonstrate an approach to compensate for screening effects that are neglected in the STEX method. Ion yield measurements of FNMA associated with the excitation of several C, N, O, and F K-shell pre-edge resonances have revealed site-specific fragmentation in some cases which we interpret with the aid of our theoretical calculations.