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

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 Schröder

doi:10.1021/ja1001407

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

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

Authors

Yong Yan¹, 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

Affiliation

¹ School of Chemistry, University of Nottingham, University Park, NG7 2RD, UK.

PMID: 20199070
DOI: 10.1021/ja1001407

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.