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. 2010 Mar 31;132(12):4092-4.
doi: 10.1021/ja1001407.

Metal-organic polyhedral frameworks: high h(2) adsorption capacities and neutron powder diffraction studies

Yong Yan  1 , 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 Schröder
Affiliations

Metal-organic polyhedral frameworks: high h(2) adsorption capacities and neutron powder diffraction studies

Yong Yan et al. J Am Chem Soc. .

Abstract

Neutron powder diffraction experiments on D(2)-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 D(2) 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 D(2) binding with a Cu-D(2) distance of 2.23(1) A.

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