Ta+ and Nb+ + CO2: intersystem crossing in ion–molecule reactions

Author:

Huber Maximilian E.1ORCID,Lewis Tucker W. R.2,Meta Marcel1ORCID,Ard Shaun G.2,Liu Yang3,Sweeny Brendan C.2,Guo Hua3ORCID,Ončák Milan4ORCID,Shuman Nicholas S.2,Meyer Jennifer1ORCID

Affiliation:

1. RPTU Kaiserslautern-Landau, Fachbereich Chemie und Forschungszentrum OPTIMAS, Erwin-Schrödinger Str. 52, 67663 Kaiserslautern, Germany

2. Air Force Research Laboratory, Space Vehicles Directorate, Kirtland Air Force Base, New Mexico 87117, USA

3. Department of Chemistry and Chemical Biology, Center for Computational Chemistry, University of New Mexico, Albuquerque, New Mexico 87131, USA

4. Universität Innsbruck, Institut für Ionenenphysik und Angewandte Physik, Technikerstra. 25, 6020 Innsbruck, Austria

Abstract

The role of intersystem crossing (ISC) in the dynamics and kinetics of gas-phase ion–molecule reactions is investigated by a mix of experimental and theoretical methods. We found that ISC can act as a bottleneck even for highly efficient reactions.

Funder

European Office of Aerospace Research and Development

Deutsche Forschungsgemeinschaft

Air Force Office of Scientific Research

Publisher

Royal Society of Chemistry (RSC)

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