Experimental and Theoretical Studies of the Isotope Exchange Reaction D + H3+ → H2D+ + H

被引:13
|
作者
Hillenbrand, P-M [1 ,4 ]
Bowen, K. P. [1 ]
Lievin, J. [2 ]
Urbain, X. [3 ]
Savin, D. W. [1 ]
机构
[1] Columbia Univ, Columbia Astrophys Lab, New York, NY 10027 USA
[2] Univ Libre Bruxelles, Serv Chim Quant & Photophys, B-1050 Brussels, Belgium
[3] Catholic Univ Louvain, Inst Condensed Matter & Nanosci, B-1348 Louvain La Neuve, Belgium
[4] GSI Helmholtzzentrum Schwerionenforsch, D-64291 Darmstadt, Germany
来源
ASTROPHYSICAL JOURNAL | 2019年 / 877卷 / 01期
关键词
astrochemistry; ISM: molecules; methods: laboratory: molecular; molecular data; molecular processes; DEUTERIUM FRACTIONATION; ELECTRON-AFFINITIES; BASIS-SETS; H2D+; CHEMISTRY; H-3(+); CORE; H-2; DEUTERATION; CONSTANTS;
D O I
10.3847/1538-4357/ab16dc
中图分类号
P1 [天文学];
学科分类号
0704 ;
摘要
Deuterated molecules are important chemical tracers of prestellar and protostellar cores. Up to now, the titular reaction has been assumed to contribute to the generation of these deuterated molecules. We have measured the merged-beams rate coefficient for this reaction as a function of the relative collision energy in the range of about 10 meV-10 eV. By varying the internal temperature of the reacting H-3(+) molecules, we found indications for the existence of a reaction barrier. We have performed detailed theoretical calculations for the zero-point-corrected energy profile of the reaction and determined a new value for the barrier height of approximate to 68 meV. Furthermore, we have calculated the tunneling probability through the barrier. Our experimental and theoretical results show that the reaction is essentially closed at astrochemically relevant temperatures. We derive a thermal rate coefficient of <1 x 10(-12) cm(3) s(-1) for temperatures below 75 K with tunneling effects included and below 155 K without tunneling.
引用
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页数:16
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