Quantum ionic dynamics in astrochemistry: Dipolar effects in theory and experiment
Quantum ionic dynamics in astrochemistry: Dipolar effects in theory and experiment
Disciplines
Chemistry (35%); Physics, Astronomy (65%)
Keywords
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Interstellar Molecules,
Negative Ions,
Photodetachment,
Ion-Molecule Reactions,
Ion-Dipole Interaction,
Resonance States
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.
- Universität Innsbruck - 100%
- 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
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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