Hydrogen-Atom Tunneling Could Contribute to H2 Formation in Space

被引：70

作者：

Goumans, Theodorus P. M. ^{[1
]}

Kaestner, Johannes ^{[2
]}

机构：

[1] Leiden Univ, LIC, Gorlaeus Labs, NL-2300 RA Leiden, Netherlands

[2] Univ Stuttgart, Computat Biochem Grp, D-70569 Stuttgart, Germany

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2010年 / 49卷 / 40期

关键词：

ab initio calculations; astrochemistry; hydrogen; kinetics; tunneling; TRANSITION-STATE THEORY; ADDITION-REACTIONS; CLUSTER-MODEL; CARBON GRAINS; ADSORPTION; KINETICS; HYDROCARBONS; DYNAMICS; BENZENE; SURFACE;

D O I：

10.1002/anie.201001311

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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. © 2010 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim.

引用

页码：7350 / 7352

页数：3

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