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Quantum ionic dynamics in astrochemistry: Dipolar effects in theory and experiment

Quantum ionic dynamics in astrochemistry: Dipolar effects in theory and experiment

Roland Wester (ORCID: 0000-0001-7935-6066)
  • Grant DOI 10.55776/P27047
  • Funding program Principal Investigator Projects
  • Status ended
  • Start October 1, 2014
  • End March 31, 2018
  • Funding amount € 347,760

Disciplines

Chemistry (35%); Physics, Astronomy (65%)

Keywords

    Interstellar Molecules, Negative Ions, Photodetachment, Ion-Molecule Reactions, Ion-Dipole Interaction, Resonance States

Final report

Negatively charged molecules have been observed in the interstellar medium a little more than ten years ago. Since the excess electron is usually bound with an energy amount that is smaller than that of the chemical bond between the atoms, the existence of a large amount of negative ions was not expected. The radioastronomical observations therefore led to several questions related to the formation and destruction of these interstellar anions. In this project we have investigated several important collision and reaction processes that can form or deplete negative ions. We have investigated reactions of hydrogen anions with neutral molecules that can form interstellar negative ions and compared the results to the process of radiative electron association. To gain more detailed understanding, we have studied the reverse process of near- threshold photodetachment and used the data to search for weakly-bound negative ion states that could serve as stepping stones for the formation of negative ions. Finally, we have investigated reactions of neutral hydrogen atoms with negative ions that forms neutral molecules and thereby destroy the anions. In summary we found that reactions of hydrogen anions may be at least as important for the formation of the observed interstellar anions as radiative electron attachment is. We also studied two anions that are similar to the observed anions, but have not been detected so far. For one of them we can rationalize this by low formation rates. For the other we calculate a formation rate that renders observation of this anion possible. The work in this project has been carried out by combining experiments on cold ions in radiofrequency traps with theoretical calculations of molecular potential curves and quantum scattering cross sections.

Research institution(s)
  • Universität Innsbruck - 100%
International project participants
  • Juraj Glosik, Charles University Prague - Czechia
  • Roman Curik, J. Heyrovski Institute of Physical Chemistry - Czechia
  • Michael Drewsen, Aarhus University - Denmark
  • Stephan Schlemmer, Universität Köln - Germany
  • Mauro Satta, Sapienza Università di Roma - Italy
  • Gerardo Delgado-Barrio, CSIC - Spanish National Research Council - Spain
  • Wolf Geppert, Stockholm University - Sweden

Research Output

  • 191 Citations
  • 20 Publications
Publications
  • 2020
    Title Threshold photodetachment spectroscopy of the astrochemical anion CN-
    DOI 10.1063/5.0029841
    Type Journal Article
    Author Simpson M
    Journal The Journal of Chemical Physics
    Pages 184309
    Link Publication
  • 2018
    Title Associative detachment (AD) paths for H and CN - in the gas-phase: astrophysical implications
    DOI 10.1039/c7cp05573k
    Type Journal Article
    Author Jerosimic S
    Journal Physical Chemistry Chemical Physics
    Pages 5490-5500
    Link Publication
  • 2021
    Title Influence of a Supercritical Electric Dipole Moment on the Photodetachment of C3N-
    DOI 10.1103/physrevlett.127.043001
    Type Journal Article
    Author Simpson M
    Journal Physical Review Letters
    Pages 043001
    Link Publication
  • 2023
    Title Investigating Possible Dipole-Bound States of Cyanopolyynes: the Case for the C5N- Anion Detected in Interstellar Space
    DOI 10.1002/cphc.202300248
    Type Journal Article
    Author Jerosimic S
    Journal ChemPhysChem
    Link Publication
  • 2020
    Title Structural properties of possible interstellar valence anions of the series HC n N - ( n = 3, 5, 7, 9)
    DOI 10.1039/d0cp02666b
    Type Journal Article
    Author Jerosimic S
    Journal Physical Chemistry Chemical Physics
    Pages 17263-17274
  • 2019
    Title Dipole-bound states contribution to the formation of anionic carbonitriles in the ISM: Calculations using multireference methods for C3N-
    DOI 10.1016/bs.aiq.2019.06.006
    Type Book Chapter
    Author Jerosimic S
    Publisher Elsevier
    Pages 47-86
  • 2019
    Title HC n N anions in the ISM: exploring their existence and new paths to anionic carbonitriles for n = 3, 5
    DOI 10.1039/c9cp00877b
    Type Journal Article
    Author Jerosimic S
    Journal Physical Chemistry Chemical Physics
    Pages 11405-11415
  • 2015
    Title Collisional state-changing of OH- rotations by interaction with Rb atoms in cold traps
    DOI 10.1016/j.chemphys.2015.05.027
    Type Journal Article
    Author González-Sánchez L
    Journal Chemical Physics
    Pages 111-118
    Link Publication
  • 2017
    Title Formation of Anionic C, N-bearing Chains in the Interstellar Medium via Reactions of H- with HCxN for Odd-valued x from 1 to 7
    DOI 10.3847/1538-4357/aa92ca
    Type Journal Article
    Author Gianturco F
    Journal The Astrophysical Journal
    Pages 42
    Link Publication
  • 2017
    Title Quantum state preparation of homonuclear molecular ions enabled via a cold buffer gas: An ab initio study for the H2+ and the D2+ case
    DOI 10.1103/physreva.95.043411
    Type Journal Article
    Author Schiller S
    Journal Physical Review A
    Pages 043411
  • 2017
    Title Rotationally inelastic cross sections, rates and cooling times for para-H2+, ortho-D2+ and HD+ in cold helium gas
    DOI 10.1140/epjd/e2017-70740-7
    Type Journal Article
    Author Vera M
    Journal The European Physical Journal D
    Pages 106
    Link Publication
  • 2017
    Title Shape and strength of dynamical couplings between vibrational levels of the H2+, HD+ and D2+ molecular ions in collision with He as a buffer gas
    DOI 10.1140/epjd/e2017-80043-8
    Type Journal Article
    Author Iskandarov I
    Journal The European Physical Journal D
    Pages 141
    Link Publication
  • 2017
    Title Investigating the electronic properties and structural features of MgH and of MgH- anions
    DOI 10.1103/physreva.96.042501
    Type Journal Article
    Author González-Sánchez L
    Journal Physical Review A
    Pages 042501
    Link Publication
  • 2016
    Title Exploring a dynamical path for C2H- and NCO- formation in dark molecular clouds
    DOI 10.1140/epjd/e2016-60639-2
    Type Journal Article
    Author Iskandarov I
    Journal The European Physical Journal D
    Pages 38
  • 2016
    Title Forming NCO– in Dense Molecular Clouds: Possible Gas-Phase Chemical Paths From Quantum Calculations
    DOI 10.1021/acs.jpca.5b10472
    Type Journal Article
    Author Yurtsever E
    Journal The Journal of Physical Chemistry A
    Pages 4693-4701
    Link Publication
  • 2016
    Title EXPLORING A CHEMICAL ROUTE FOR THE FORMATION OF STABLE ANIONS OF POLYYNES [CnH- (n = 2, 4)] IN MOLECULAR CLOUDS
    DOI 10.3847/0004-637x/830/1/2
    Type Journal Article
    Author Gianturco F
    Journal The Astrophysical Journal
    Pages 2
  • 2016
    Title Modelling the role of electron attachment rates on column density ratios for C n H-/C n H () in dense molecular clouds
    DOI 10.1088/0953-4075/49/20/204003
    Type Journal Article
    Author Gianturco F
    Journal Journal of Physics B: Atomic, Molecular and Optical Physics
    Pages 204003
    Link Publication
  • 2016
    Title State-changing processes for ions in cold traps: LiH- molecules colliding with He as a buffer gas
    DOI 10.1088/0953-4075/49/23/235201
    Type Journal Article
    Author González-Sánchez L
    Journal Journal of Physics B: Atomic, Molecular and Optical Physics
    Pages 235201
    Link Publication
  • 2017
    Title Rotationally inelastic collisions of H2+ ions with He buffer gas: Computing cross sections and rates
    DOI 10.1063/1.4978475
    Type Journal Article
    Author Vera M
    Journal The Journal of Chemical Physics
    Pages 124310
  • 2015
    Title Computing rotational energy transfers of OD-/OH- in collisions with Rb: isotopic effects and inelastic rates at cold ion-trap conditions
    DOI 10.1088/1367-2630/17/12/123003
    Type Journal Article
    Author González-Sánchez L
    Journal New Journal of Physics
    Pages 123003
    Link Publication

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