2,3-Dimethylindole (2,3-DMID), a candidate with a hydrogen storage capacity of 5.23 wt%, was studied as a new liquid organic hydrogen carrier (LOHC) in detail in this report. Hydrogenation of 2,3-DMID was conducted over 5 wt% Ru/Al₂O₃ by investigating the influences of temperature and hydrogen pressure. 100% of fully hydrogenated product, 8H-2,3-DMID can be achieved at 190 °C and 7 MPa in 4 h. Dehydrogenation of 8H-2,3-DMID was performed over 5 wt% Pd/Al₂O₃ at 180–210 °C and 101 kPa. It is found that dehydrogenation of 8H-2,3-DMID followed first order kinetics with an apparent activation energy of 39.6 kJ mol⁻¹. The structures of intermediates produced in the 8H-2,3-DMID dehydrogenation process were analyzed by DFT calculations.

中文翻译：

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2,3-二甲基吲哚催化加氢脱氢储氢应用研究

2,3-二甲基吲哚（2,3-DMID）是一种储氢能力为5.23 wt%的候选物，在本报告中作为一种新型液态有机氢载体（LOHC）进行了详细研究。通过研究温度和氢气压力的影响，在 5 wt% Ru/Al ₂ O ₃上进行 2,3-DMID的氢化。100% 的全氢化产物 8H-2,3-DMID 在 190 °C 和 7 MPa 下可在 4 h 内获得。8H-2,3-DMID 的脱氢在 5 wt% Pd/Al ₂ O ₃上在 180–210 °C 和 101 kPa 下进行。发现8H-2,3-DMID的脱氢遵循一级动力学，表观活化能为39.6 kJ mol ^-1. 通过 DFT 计算分析了 8H-2,3-DMID 脱氢过程中产生的中间体的结构。