Collisional Quantum Dynamics for MgH- (1 Σ+ ) With He as a Buffer Gas: Ionic State-Changing Reactions in Cold Traps

Frontiers in Chemistry
L González-SánchezFrancesco A Gianturco

Abstract

We present in this paper a detailed theoretical and computational analysis of the quantum inelastic dynamics involving the lower rotational levels of the MgH- (X1Σ+) molecular anion in collision with He atoms which provide the buffer gas in a cold trap. The interaction potential between the molecular partner and the He (1S) gaseous atoms is obtained from accurate quantum chemical calculations at the post-Hartree-Fock level as described in this paper. The spatial features and the interaction strength of the present potential energy surface (PES) are analyzed in detail and in comparison with similar, earlier results involving the MgH+ (1Σ) cation interacting with He atoms. The quantum, multichannel dynamics is then carried out using the newly obtained PES and the final inelastic rats constants, over the range of temperatures which are expected to be present in a cold ion trap experiment, are obtained to generate the multichannel kinetics of population changes observed for the molecular ion during the collisional cooling process. The rotational populations finally achieved at specific temperatures are linked to state-selective laser photo-detachment experiments to be carried out in our laboratory.All intermediate steps of the quan...Continue Reading

References

Aug 8, 2009·Physical Review Letters·Andrew T GrierVladan Vuletić
Feb 16, 2010·Faraday Discussions·Dudley Herschbach
Feb 16, 2010·Faraday Discussions·F A Gianturco, M Tacconi
Jan 15, 2011·Physical Review Letters·Stefan SchmidJohannes Hecker Denschlag
Mar 2, 2011·Physical Chemistry Chemical Physics : PCCP·Hongwei BaiDarren Delai Sun
Aug 28, 2012·Chemical Reviews·Goulven Quéméner, Paul S Julienne
May 15, 2018·Physical Review Letters·H J WilliamsM R Tarbutt
Sep 17, 2018·The Journal of Chemical Physics·Olga LakhmanskayaRoland Wester
Sep 21, 2018·Faraday Discussions·Francesco A GianturcoRoland Wester

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