Isotope Effects in the Formation of Molecular Hydrogen on a Graphite Surface via an Eley-Rideal Mechanism

Anthony J. H. M. Meijer; Adam J. Farebrother; David C. Clary

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Isotope Effects in the Formation of Molecular Hydrogen on a Graphite Surface via an Eley-Rideal Mechanism

机译：通过Eley-Rideal机制在石墨表面形成分子氢的同位素效应

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The associative desorption of HD(v,j) and D_2 (v,j) on a graphite(0001) surface via an Eley-Rideal mechanism has been studied theoretically using a time-dependent wave packet method. We find that product molecules are formed rovibrationally excited and translationally hot. When comparing the different products to earlier calculations on the formation of H_2 on graphite(0001), we find significant isotope effects and possible resonant transitions during the reaction, which might have consequences for the possible detection of highly excited H_2 in dense intermolecular clouds.

机译：理论上，使用时变波包方法研究了石墨（0001）表面上HD（v，j）和D_2（v，j）通过Eley-Rideal机理的缔合解吸。我们发现产物分子是由激发和平移热形成的。当将不同产物与早期关于在石墨（0001）上形成H_2的计算进行比较时，我们发现反应过程中存在显着的同位素效应和可能的共振跃迁，这可能对在密集的分子间云中检测到高激发的H_2产生影响。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2002年第39期|共13页
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Anthony J. H. M. Meijer; Adam J. Farebrother; David C. Clary;
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正文语种 eng
中图分类物理化学（理论化学）、化学物理学;
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1. Isotope Effects in the Formation of Molecular Hydrogen on a Graphite Surface via an Eley-Rideal Mechanism [J] . Anthony J. H. M. Meijer, Adam J. Farebrother, David C. Clary The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2002,第39期

机译：通过Eley-Rideal机制在石墨表面形成分子氢的同位素效应
2. Time-Dependent Quantum Mechanical Calculations on the Formation of Molecular Hydrogen on a Graphite Surface via an Eley-Rideal Mechanism [J] . Anthony J. H. M. Meijer, Adam J. Farebrother, David C. Clary, The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2001,第11期

机译：通过Eley-Rideal机理在石墨表面形成氢分子的时变量子力学计算
3. Formation of molecular hydrogen on a graphite surface via an Eley-Rideal mechanism [J] . Farebrother AJ., Clary DC., Fisher AJ., Chemical Physics Letters . 2000,第3a4期

机译：通过Eley-Rideal机理在石墨表面形成氢分子
4. Molecular dynamics simulation study on sputtering of graphite or amorphous carbon by low-energy hydrogen or its isotope ion beams [C] . Yamashiro Masashi, Hamaguchi Satoshi 2010 Abstracts IEEE International Conference on Plasma Science . 2010

机译：低能氢或其同位素离子束溅射石墨或无定形碳的分子动力学模拟研究
5. Inter- and intramolecular isotope effects as a measure of multi-step reaction mechanisms. [D] . Szymanski, Michael James. 2002

机译：分子间和分子内同位素效应可作为多步反应机理的量度。
6. Numerical investigation of the elastic scattering of hydrogen (isotopes) and helium at graphite (0001) surfaces at beam energies of 1 to 4 eV using a split-step Fourier method [O] . Stefan E. Huber, Tobias Hell, Michael Probst, -1

机译：使用分步傅里叶方法对束能量为1至4 eV的石墨（0001）表面的氢（同位素）和氦进行弹性散射的数值研究
7. Surface coverage effects on the formation of molecular hydrogen on a graphite surface via an Eley-Rideal mechanism [O] . Meijer AJHM, Fisher AJ, Clary DC 2003

机译：表面覆盖通过Eley-Rideal机理影响石墨表面上分子氢的形成

Isotope Effects in the Formation of Molecular Hydrogen on a Graphite Surface via an Eley-Rideal Mechanism

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