Cu3(1,3,5-苯三甲酸酯)2中D2吸附的中子粉末衍射研究
Neutron powder diffraction study of D2 sorption in Cu3(1,3,5-benzenetricarboxylate)2.
作者信息
Peterson Vanessa K, Liu Yun, Brown Craig M, Kepert Cameron J
机构信息
School of Chemistry, The University of Sydney, NSW 2006, Australia.
出版信息
J Am Chem Soc. 2006 Dec 13;128(49):15578-9. doi: 10.1021/ja0660857.
Rietveld analyses of neutron powder diffraction data of D2 in Cu3(BTC)2, where BTC = 1,3,5-benzenetricarboxylate, reveals the location and progressive filling of six distinct D2 sites within the nanopore structure. Location of the primary site at the coordinatively unsaturated Cu atoms provides direct structural evidence of the potential importance of such metal sites to hydrogen storage. Competitive loading of the other D2 sites proceeds with the pores filling from smallest to largest.
对Cu3(BTC)2（其中BTC = 1,3,5 - 苯三甲酸酯）中D2的中子粉末衍射数据进行的里特维尔德分析揭示了纳米孔结构内六个不同D2位点的位置和逐步填充情况。主要位点位于配位不饱和的铜原子处，这为这类金属位点对储氢的潜在重要性提供了直接的结构证据。其他D2位点的竞争性填充过程是孔隙从最小到最大依次填充。
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