Metal-Organic Polyhedral Frameworks: High H-2 Adsorption Capacities and Neutron Powder Diffraction Studies

I TELEPENI; SH YANG; W KOCKELMANN; A DAILLY; AJ BLAKE; W LEWIS; GS WALKER; DR ALLAN; SA BARNETT; NR CHAMPNESS; M SCHRODER

doi:10.1021/ja1001407

Metal-Organic Polyhedral Frameworks: High H-2 Adsorption Capacities and Neutron Powder Diffraction Studies

I TELEPENI, SH YANG, W KOCKELMANN, A DAILLY, AJ BLAKE, W LEWIS, GS WALKER, DR ALLAN, SA BARNETT, NR CHAMPNESS, M SCHRODER

Chemistry

Research output: Contribution to journal › Article › peer-review

247 Citations (Scopus)

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.

Original language	English
Pages (from-to)	4092-4094
Journal	Journal of the American Chemical Society
Volume	132
Issue number	12
DOIs	https://doi.org/10.1021/ja1001407
Publication status	Published - 3 Mar 2010

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title = "Metal-Organic Polyhedral Frameworks: High H-2 Adsorption Capacities and Neutron Powder Diffraction Studies",

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) {\AA}.",

author = "I TELEPENI and SH YANG and W KOCKELMANN and A DAILLY and AJ BLAKE and W LEWIS and GS WALKER and DR ALLAN and SA BARNETT and NR CHAMPNESS and M SCHRODER",

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AU - YANG, SH

AU - KOCKELMANN, W

AU - DAILLY, A

AU - BLAKE, AJ

AU - LEWIS, W

AU - WALKER, GS

AU - ALLAN, DR

AU - BARNETT, SA

AU - CHAMPNESS, NR

AU - SCHRODER, M

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AB - 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.

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JF - Journal of the American Chemical Society

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Metal-Organic Polyhedral Frameworks: High H-2 Adsorption Capacities and Neutron Powder Diffraction Studies

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