A Novel Cobalt（Ⅲ） Complex with Macrocyclic Triamine Ligand for High Capacity Hydrogen Adsorption

• 作者: GUO Hui LI Sai ZHU Hai-Yan
• 来源期刊: 结构化学
• 学科: 化学
• 关键词: 大环配体 氢吸附 三胺 高容量 配合物 配位络合物 金属阳离子 重量计
• 年，卷（期）: 2012,（9）
• 页码范围: 1322-1328
• 页数: 7页
• 分类号: O626|TG139.7
• 语种: 英文

摘要

The coordination complex of Co（Ⅲ） based on a macrocyclic triamine ligand 1,4-diacetate-1,4,7-triazacyclodecane （L） has been synthesized and characterized. The metal cation is bonded with three nitrogen atoms and two oxygen atoms of L and one chloride ion to form a distorted octahedral geometry. This complex coordinated with macrocyclic ligand possesses large pore volume that will be contributed to observe high H2 adsorption. With respect to the first-principles electronic structure calculations, the feasibility to store hydrogen in the complex is explored. Indeed, the complex has shown a very high total H2 adsorption of 7.2 wt% （wt% = （weight of adsorbed H2）/（weight of host material））, with a binding energy of 0.03 eV/H2