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

DOI: 10.1021/ja1001407 DOI Help

Authors: Yong Yan (University of Nottingham) , Irwin Telepeni (University of Nottingham) , Sihai Yang (University of Nottingham) , Xiang Lin (University of Nottingham) , Winfried Kockelmann (Rutherford Appleton Laboratory) , Ann Dailly (General Motors LLC, Warren, Michigan) , William Lewis (University of Nottingham) , Gavin Walker (University of Nottingham) , David Allan (Diamond Light Source) , Sarah Barnett (Diamond Light Source) , Neil Champness (University of Nottingham) , Martin Schroder (University of Nottingham) , Alexander Blake (University of Nottingham)
Co-authored by industrial partner: Yes

Type: Journal Paper
Journal: Journal Of The American Chemical Society , VOL 132 (12) , PAGES 4092–4094

State: Published (Approved)
Published: March 2010
Diamond Proposal Number(s): 1217

Abstract: 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.

Journal Keywords: Hydrogen Storage; Metal-Organic Frameworks

Subject Areas: Chemistry, Materials, Energy

Instruments: I19-Small Molecule Single Crystal Diffraction

Added On: 19/03/2010 10:29

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