Ionization and fragmentation processes in free atoms and molecules  Page description

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Details of project

  
Identifier
128621
Type K
Principal investigator Gulyás, László
Title in Hungarian Ionizációs és fragmentációs folyamatok szabad atomokban és molekulákban
Title in English Ionization and fragmentation processes in free atoms and molecules
Keywords in Hungarian molekula fragmentáció, ionizáció, korreláció, 3D szögeloszlás, VUV fotonok, ionnyalábok
Keywords in English molecula fragmentation, ionization, correlation, 3D angular distribution, VUV photons, ion beams
Discipline
Physics (Council of Physical Sciences)100 %
Ortelius classification: Physics
Panel Physics 1
Department or equivalent Quantum theory research group (HUN-REN Institute for Nuclear Research)
Participants Ábrók, Levente
Bene, Erika
Demes, Sándor
Herczku, Péter
Juhász, Zoltán
Kovács, Sándor
Kövér, Ákos
Márton, István
Mezei, János Zsolt
Nagy, Dávid
Orbán, Andrea
Sarkadi, László
Sulik, Béla
Starting date 2018-12-01
Closing date 2023-11-30
Funding (in million HUF) 47.754
FTE (full time equivalent) 27.15
state running project





 

Final report

  
Results in Hungarian
Atomok és molekulák nagyenergiájú töltött részecskékkel vagy fotonokkal kiváltott reakciói számos kutatás és alkalmazás (asztrofizika, plazmafizika, környezetfizika, sugárterápiás eljárások) számára alapvető jelentőségűek. Ezen folyamatok dinamikájának feltárását segítő eredményeink: 1) A molekulák anizotrop potenciáltérének figyelembevételével általánosítottuk a kvantummechanikai folytonos torzított hullámú-eikonal kezdeti állapot közelítést ion-molekula ütközésekre. 2) A klasszikus Monte-Carlo módszert kiterjesztettük és alkalmaztuk a foton indukált atomi és molekuláris folyamatokra. 3) Elsőként mértük meg a tetrahidrofurán molekula fotoelektronjainak teljes szögeloszlását. 4) Először sikerült kísérletileg meghatározni elektron lövedék esetében az előre irányba szóródott elektronok hatáskeresztmetszetét vízmolekulákon, és összehasonlítani az R-Mátrix módszerrel számolt adatokkal. 5) Térmentes repülési idő spektrométerünkkel megmértük O+ + H2 ütközésekben a fragmentumok eloszlásának molekulaforgás miatti finom felhasadását. 6) Elektron – molekula-kation ütközésekben először határoztunk meg elágazási arányokat a lejátszódó folyamatokra. 7) Asztrofizikai szempontból releváns, hideg jegekben (~20K) vizsgáltuk az ionbombázással keltett kémiai változásokat. 8) Kimutattuk, hogy a napszél energiatartományába (0.4-50 keV) eső ionokkal bombázott, H-tartalmú molekulákból néhány százalékban negatív H ionok lépnek ki, amelyek befolyásolhatják a naprendszer kémiai folyamatait.
Results in English
The reactions of atoms and molecules induced by photons or high-energy charged particles are of fundamental importance for several research fields and applications (astrophysics, plasma physics, environmental physics, radiation therapy). Our results in exploring the dynamics of these processes are: 1) Accounting for the anisotropic potential of the molecules, we generalized the quantum mechanical continuous distorted wave-eiconal initial state approximation to ion-molecule collisions. 2) We extended and applied the classical Monte-Carlo method to photon-induced atomic and molecular processes. 3) We have measured for the first time the total angular distribution of the photoelectrons of the tetrahydrofuran molecule. 4) We provided the first experimental proof of theoretical R-matrix prediction in the experimentally unexplored forward angular region for electron - water molecule collision. 5) With our field-free time-of-flight spectrometer, we observed the fine splitting on the fragment distribution due to molecular rotation in O+ + H2 collisions. 6) We have determined for the first-time the branching ratios of the elementary processes taking place in collisions of electrons with molecular cations 7) We studied the chemical changes caused by ion impact in astrophysical ices analogues at ~20K temperatures. 8) We found that ion impact fragmentation of H-containing molecules regularly results in a few percent of H anions, which may affect the chemistry in the solar system.
Full text https://www.otka-palyazat.hu/download.php?type=zarobeszamolo&projektid=128621
Decision
Yes





 

List of publications

  
Zsolt J. Mezei, Kalyan Chakrabarti, Michel Douglas Epée Epée, Ousmanou Motapon, Chi Hong Yuen, Mehdi A. Ayouz, Nicolas Douguet, Samantha Fonseca dos Santos, Viatcheslav Kokoouline and Ioan F. Schneider: Electron-Induced Excitation, Recombination, and Dissociation of Molecular Ions Initiating the Formation of Complex Organic Molecules, ACS Earth Space Chem. 2019, 3, 11, 2376-2389, 2019
Mezei, János Zsolt and Epée Epée, Michel D. and Motapon, Ousmanou and Schneider, Ioan F.: Dissociative Recombination of CH+ Molecular Ion Induced by Very Low Energy Electrons, Atoms 2019, 7(3), 82;, 2019
A Igarashi and L Gulyás: Vibrationally resolved capture cross section in p + H 2 collision, J. Phys. B: At. Mol. Opt. Phys. 52 (2019) 075204 (8pp), 2019
A Igarashi and L Gulyás: Effective fully differential cross-section in single ionization of helium by fast ions, J. Phys. B: At. Mol. Opt. Phys. 52 (2019) 245203 (9pp), 2019
R. Kadokura, A. Loreti, Á. Kövér, A. Faure, J. Tennyson, 1 and G. Laricchia: Angle-Resolved Electron Scattering from H 2 O near 0°, PHYSICAL REVIEW LETTERS 123, 033401 (2019), 2019
A Orbán , T Xie , R Vexiau , O Dulieu and N Bouloufa-Maafa: Hyperfine structure of electronically-excited states of the 39 K 133 Cs molecule, J. Phys. B: At. Mol. Opt. Phys. 52 (2019) 135101 (13pp), 2019
L. Gulyás, S. Egri and A. Igarashi: Theoretical investigation of the fully differential cross sections for single ionization of He in collisions with 75-keV protons, PHYSICAL REVIEW A 99, 032704 (2019), 2019
Z. Juhász, B. Sulik, E. Lattouf, E. Bene, B. A. Huber, P. Herczku, S. T. S. Kovács, A. Méry, J.-C. Poully, J. Rangama, J. A. Tanis, V. Vizcaino and J.-Y. Chesnel: Anion and cation emission from water molecules after collisions with 6.6-keV 16 O + ions, PHYSICAL REVIEW A 100, 032713 (2019), 2019
L. Sarkadi and A. Orbán: Triple-coincidence experiment to study the correlated electron emission in the collision-induced double electron loss of He −, PHYSICAL REVIEW A 100, 052708 (2019), 2019
Sándor T.S. Kovács, Péter Herczku, Zoltán Juhász. László Sarkadi, László Gulyás, Jean Yves. Chesnel, Levente Ábrók, Francois Frémont, Anas Hajaji, Béla Sulik: Dissociative ionization of the H 2 O molecule bombarded by swift singly charged and slow highly charged ions, X‐Ray Spectrometry. 2019;1–5., 2019
A Igarashi and L Gulyás: Fully differential cross sections for ionization of Li(2s) and Li(2p) by 16MeV Li2+ impact, J. Phys. B: At. Mol. Opt. Phys. 53 (2020) 075203 (7pp), 2020
A.H. Kelkar, D. Misra, L. Gulyás, and Lokesh C. Tribedi: Electron emission in fast heavy ion impact ionization of C60 and Ne: giant plasmon excitation, Eur. Phys. J. D (2020) 74: 157, 2020
L. Sarkadi: Laser-induced nonsequential double ionization of helium: classical model calculations, J. Phys. B: At. Mol. Opt. Phys. 53 (2020) 165401 (11pp), 2020
S Demes, V Kelemen and E Remeta: Elastic electron scattering by halocarbon radicals in the independent atom model approach, Eur. Phys. J. D (2020) 74: 57, 2020
S Demes and E Remeta: Ab initio study of energy characteristics of small polyatomic molecules in threshold electron-impact dissociative ionization processes, Journal of Physics: Conference Series1412 (2020) 152065, 2020
F. Iacob, N. Pop, J. Zs. Mezei, S. Niyonzima, V. Laporta, K. Chakrabarti, and I. F. Schneider: Reactive collisions between electrons and BeT+, AIP Conference Proceedings 2218, 050010 (2020), 2020
J Zs Mezei , A Orbán , K Chakrabarti, Y Moulane, M D Epée Epée, O Motapon, D Talbi and I F Schneider: Electronic reactive collisions in cold ionised media: from mechanisms to new state-to-state cross sections and rate coefficients, Journal of Physics: Conference Series IOP Publishing 1412 (2020) 172003, 2020
T. Xie, M. Lepers, R. Vexiau, A. Orbán, O. Dulieu and N. Bouloufa-Maafa: Optical Shielding of Destructive Chemical Reactions between Ultracold Ground-State NaRb Molecules, PHYSICAL REVIEW LETTERS 125, 153202 (2020), 2020
L. Sarkadi: Comparative study of classical theoretical descriptions of the ionization of atoms induced by few-cycle laser pulses, PHYSICAL REVIEW A 103 053113, 2021
István Márton, Levente Ábrók, Dávid Nagy, Ákos Kövér, László Gulyás, Sándor Demes, Sándor Ricz: Angular distribution and energy spectra of photoelectrons from tetrahydrofuran illuminated by VUV photon source, Journal of Electron Spectroscopy and Related Phenomena vol.249, p. 147070, 2021
Chandan Bagdia, Anuvab Mandal, Madhusree Roy Chowdhury, Shamik Bhattacharjee, M Nrisimha Murty, Deepankar Misra, Christophe Champion, László Gulyás, Philippe F Weck and Lokesh C Tribedi: Electron emission from fluorene (C13H10) upon 3.5 MeV/u Si8+ ion impact: double differential distributions, J. Phys. B: At. Mol. Opt. Phys. 54 155202, 2021
S T S Kovacs, P Herczku, Z Juhász, L Sarkadi, L Gulyás, J-Y Chesnel and B Sulik: Dissociative multiple ionization of the H2O molecule induced by ion impact: experimental and theoretical results, J. Phys.: Conf. Ser. 1412 152071, 2020
A. Abdoulanziz, C. Argentin, V. Laporta, K. Chakrabarti, A. Bultel, J. Tennyson, I. F. Schneider and J. Zs. Mezei: Low-energy electron impact dissociative recombination and vibrational transitions of N2+, Journal of Applied Physics 129, 053303, 2021
Duncan V. Mifsud, Zoltán Juhász, Péter Herczku, Sándor T. S. Kovács, Sergio Ioppolo, Zuzana Kaňuchová, Máté Czentye, Perry A. Hailey, Alejandra Traspas Muiña, Nigel J. Mason, Robert W. McCullough, Béla Paripás, and Béla Sulik: Electron irradiation and thermal chemistry studies of interstellar and planetary ice analogues at the ICA astrochemistry facility, Eur. Phys. J. D 75 :182, 2021
Péter Herczku, Duncan V. Mifsud, Sergio Ioppolo, Zoltán Juhász, Zuzana Kaňuchová, Sándor T. S. Kovács, Alejandra Traspas Muiña, Perry A. Hailey, István Rajta, István Vajda, Nigel J. Mason, Robert W. McCullough, Béla Paripás, Béla Sulik: The Ice Chamber for Astrophysics-Astrochemistry (ICA): A New Experimental Facility for Ion Impact Studies of Astrophysical Ice Analogues, Rev. Sci. Instrum. 92, 084501, 2021
K Chakrabarti, J Zs Mezei, I F Schneider and J Tennyson: Electron collision studies on the CH2+ molecular ion, J. Phys. B: At. Mol. Opt. Phys. 55 (2022) 095201, 2022
L. Ábrók, T.Buhr, Á.Kövér, D.Varga, K.Holste, A.A.BorovikJr., S.Schippers, A.Müllerd, L.Gulyás, S.Ricz, A.Orbán: Non-dipole anisotropy parameters in the photoionization of Kr in the region of deep inner shell excitations, Journal of Electron Spectroscopy and Related Phenomena Volume 258, July 2022, 147209, 2022
T. Xie, A. Orbán, X. Xing, E. Luc-Koenig, R. Vexiau, O. Dulieu, N. Bouloufa-Maafa: Engineering long-range interactions between ultracold atoms with light, J. Phys. B: At. Mol. Opt. Phys. 55 034001 (2022), 2022
S. Kasthurirangan, C.-Z. Gao, P. M. Dinh, L. Gulyás, E. Suraud and L. C. Tribedi: Observation of giant quadrupole plasmon resonance in C60 in fast ion collisions, PHYSICAL REVIEW A 106, 012820 (2022), 2022
István Márton and László Sarkadi: Study of the effect of higher-order dispersions on photoionisation induced by ultrafast laser pulses applying a classical theoretical method, Sci Rep 12, 13841 (2022), 2022
Soumya Chatterjee, Sunil Kumar, Sarvesh Kumar, M Oswal, Biraja Mohanty, D Mehta, D Mitra, A M P Mendez, D M Mitnik, C C Montanari, L Sarkadi and T Nandi: Understanding the mechanisms of L-shell x-ray emission from Os atoms bombarded by 4–6 MeV/u fluorine ion, Physica Scripta, Volume 97, Number 045405 (2022), 2022
M. D. Epée, Epée, O. Motapon, N. Pop, F. Iacob, E. Roueff, I. F. Schneider, and J. Zs. Mezei: Dissociative recombination and rotational transitions of D2+ in collisions with slow electrons, MNRAS 512, 424 (2022), 2022
D. V. Mifsud, Z. Kanuchová, S. Ioppolo, P. Herczku, A. Traspas Muina, B. Sulik, K. K. Rahul, S. T. S. Kovács, P. A. Hailey, R. W. McCullough, N. J. Mason, Z. Juhász: Ozone Production in Electron Irradiated CO2:O2 Ices, Physical Chemistry Chemical Physics 24 (2022) 18169, 2022
D. V. Mifsud, P. Herczku, R. Rácz, K.K. Rahul, S. T.S. Kovács, Z. Juhász, B. Sulik, S. Biri, R. W. McCullough, Z. Kaňuchová, S. Ioppolo, P. A. Hailey, N. J. Mason: Energetic Electron Irradiations of Amorphous and Crystalline Sulphur-Bearing Astrochemical Ices,, Frontiers in Chemistry 10 (2022) 1003163, 2022
D.V. Mifsud, Z. Kanuchová, S. Ioppolo, P. Herczku, A. Traspas Muina, T.A. Field, P.A. Hailey, Z. Juhász, S.T.S. Kovács, N.J. Mason, R.W. McCullough, S. Pavithraa, K. K. Rahul, B. Paripás, B. Sulik, S.-L. Chou, J.-I. Lo, A. Das, B.-M. Cheng, B. N. Rajasekhar, A. Bhardwaj, B. Sivaraman: Mid-IR and VUV Spectroscopic Characterisation of Thermally Processed and Electron Irradiated CO2 Astrophysical Ice Analogues, Journal of Molecular Spectroscopy 385 (2022) 111599, 2022
Felix Iacob , Thomas Meltzer, János Zsolt Mezei, Ioan F Schneider and Jonathan Tennyson: Study of bound and resonant states of NS molecule in the R-matrix approach, J. Phys. B: At. Mol. Opt. Phys. 55 (2022) 235202, 2022
Sándor Demes, Vladimir Kelemen and Eugene Remeta: Elastic electron scattering by halocarbon radicals in the independent atom model approach, Eur. Phys. J. D (2020) 74: 57, 2020
Vladimir I. Kelemen a, Sándor Demes and Eugene Yu. Remeta: Theoretical study of elastic electron scattering by zinc atoms in the framework of relativistic optical potential model, Journal of Electron Spectroscopy and Related Phenomena 266 (2023) 147365, 2023
A. Geyer, O. Neufeld, D. Trabert, U. De Giovannini, M. Hofmann, N. Anders, L. Sarkadi, M. S. Schöffler, L. Ph. H. Schmidt, A. Rubio, T. Jahnke, M. Kunitski, and S. Eckart: Quantum correlation of electron and ion energy in the dissociative strong-field ionization of H2, Phys. Rev. Research 5 (2023) 013123, 2023
D. M. Newson, R. Kadokura, H. Allen, S. E. Fayer, S. J. Brawley, M. Shipman, G. Laricchia, R. S. Wilde, I. I. Fabrikant, and L. Sarkadi: Low-energy positronium scattering from O2, Phys. Rev. A 107 (2023) 022809, 2023
Duncan V. Mifsud, Péter Herczku, K. K. Rahul, Ragav Ramachandran, c Pavithraa Sundararajan, Saándor T. S. Kovács, Béla Sulik, Zoltán Juhász, Richárd Rácz, Sándor Biri, Zuzana Kanuchova, Robert W. McCullough, Bhalamurugan Sivaraman, Sergio Ioppolo and Nigel J. Mason: A systematic mid-infrared spectroscopic study of thermally processed SO2 ices, Phys. Chem. Chem. Phys., 2023, 25, 26278–26288, 2023
Alexei V. Ivlev, Barbara M. Giuliano, Zoltán Juhász, Péter Herczku, Béla Sulik, Duncan V. Mifsud, Sándor T. S. Kovács, K. K. Rahul, Richárd Rácz, Sándor Biri, István Rajta, István Vajda, Nigel J. Mason, Sergio Ioppolo, and Paola Caselli: Bombardment of CO ice by cosmic rays. I. Experimental insights into the microphysics of molecule destruction and sputtering, Astrophysical Journal, 2023 944 181, 2023
Duncan V. Mifsud, Péter Herczku, Béla Sulik, Zoltán Juhász, István Vajda, István Rajta, Sergio Ioppolo, Nigel J. Mason, Giovanni Strazzulla, Zuzana Kaňuchová: Proton and electron irradiations of CH4:H2O mixed ices, Atoms 2023, 11, 19, 2023
Caroline Antunes Rosa, Alexandre Bergantini, Péter Herczku, Duncan V. Mifsud, Gergő Lakatos, Sándor T. S. Kovács, Béla Sulik, Zoltán Juhász, Sergio Ioppolo, Heidy M. Quitián-Lara, Nigel J. Mason, Claudia Lage: Infrared spectral signatures of nucleobases in interstellar ices I: Purines, Life 2023, 13, 2208, 2023
Z. Juhász, S. T. S. Kovács, V. Vizcaïno, P. Herczku, S. Demes, R. Rácz, B. Sulik, S. Biri, N. Sens, D. V. Mifsud, and J.-Y. Chesnel: Molecular-rotation-induced splitting of the binary ridge in the velocity map of sub-eV H+ ions ejected from H2 molecules by ion impact, Phys. Rev. A, 2023, 107, L010801, 2023
L. Gulyás: Multicenter continuum distorted wave with eikonal initial state model for single ionization in ion-molecule collisions: Differential electron emission from water under energetic ion impact, PHYSICAL REVIEW A 108, 032815 (2023), 2023
Debasmita Chakraborty , László Gulyás and Lokesh C. Tribedi: Electron Emission Cross Section from Methane under 250 keV Proton Impact, Atoms 2023, 11(3), 49, 2023
Sanjeev Kumar Maurya, Debasmita Chakraborty, Abhijeet Bhogale, Chandan Bagdia, Kalpesh Ghag, Laszlo Gulyás and Lokesh C Tribedi: Ionization of uracil molecule in collisions with 2.5-MeV/u Si12+ ions, 2023 Phys. Scr. 98 125402, 2023
J. Boffelli, F. Gauchet, D. O. Kashinski, D. Talbi, A. P. Hickman, K. Chakrabarti, E. Bron, A. Orbán, J. Zs. Mezei, and I. F. Schneider: Population of ground and lowest excited states of sulfur via the dissociative recombination of SH+ in the diffuse interstellar medium, MNRAS 522, 2259–2266 (2023), 2023
János Zsolt Mezei, Mehdi A. Ayouz, Andrea Orbán, Abdillah Abdoulanziz, Dahbia Talbi, David O. Kashinski, Emeric Bron, Viatcheslav Kokoouline, and Ioan F. Schneider: Dissociative recombination of N2H+: a revisited study, Eur. Phys. J. Spec. Top. (2023) 232:1967–1973, 2023




 

Events of the project

  
2023-04-27 08:53:46
Kutatóhely váltás
A kutatás helye megváltozott. Korábbi kutatóhely: Kísérleti molekulafizikai kutatócsoport (Atommagkutató Intézet), Új kutatóhely: Kvantumelmélet kutatócsoport (Atommagkutató Intézet).



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