Metal−Organic Polyhedral Frameworks: High H2 Adsorption Capacities and Neutron Powder Diffraction Studies

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• 作者：Yong Yan ; Irvin Telepeni ; Sihai Yang ; Xiang Lin ; Winfried Kockelmann ; Anne Dailly ; Alexander J. Blake ; William Lewis ; Gavin S. Walker ; David R. Allan ; Sarah A. Barnett ; Neil R. Champness ; Martin Schrde
• 刊名：Journal of the American Chemical Society
• 出版年：2010
• 出版时间：March 31, 2010
• 年：2010
• 卷：132
• 期：12
• 页码：4092-4094
• 全文大小：190K
• 年卷期：v.132,no.12(March 31, 2010)
• ISSN：1520-5126

文摘

Neutron powder diffraction experiments on D₂-loaded NOTT-112 reveal that the axial sites of exposed Cu(II) ions in the smallest cuboctahedral cages are the first, strongest binding sites for D₂ leading to an overall discrimination between the two types of exposed Cu(II) sites at the paddlewheel nodes. Thus, the Cu(II) centers within the cuboctahedral cage are the first sites of D₂ binding with a Cu−D₂ distance of 2.23(1) Å.