Hydrogen‐Atom Tunneling Could Contribute to H2 Formation in Space

Hydrogen‐Atom Tunneling Could Contribute to H2 Formation in Space

Cosmic cat.: Tunneling effects in the reaction between hydrogen atoms and benzene have been studied with a new direct dynamics implementation of harmonic quantum transition‐state theory. In certain regions of interstellar space, tunneling could facilitate H chemisorption on polycyclic aromatic hydro...

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Veröffentlicht in:Angewandte Chemie International Edition 2010-09, Vol.49 (40), p.7350-7352
Hauptverfasser: Goumans, Theodorus P. M., Kästner, Johannes
Format: Artikel
Sprache:eng
Schlagworte:
ab initio calculations
astrochemistry
hydrogen
kinetics
tunneling
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Zusammenfassung:Cosmic cat.: Tunneling effects in the reaction between hydrogen atoms and benzene have been studied with a new direct dynamics implementation of harmonic quantum transition‐state theory. In certain regions of interstellar space, tunneling could facilitate H chemisorption on polycyclic aromatic hydrocarbons, thereby catalyzing HD and H2 formation.
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.201001311