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Ultramicroporous MOF with high concentration of vacant CuII sites

Ultramicroporous MOF with high concentration of vacant CuII sites
Ultramicroporous MOF with high concentration of vacant CuII sites

An ultramicroporous metal-organic framework (MOF) is reported that contains 0.35 nm nanotube-like channels with an unprecedented concentration of vacant CuII coordination sites. The nonintersecting, narrow channels in [Cu3(cdm)4] (cdm = C(CN)2(CONH 2)-) align in two perpendicular directions, structurally resembling copper-doped carbon nanotubes with CuII embedded in the walls of the channels. The combination of ultramicroporosity with the exposed CuII coordination sites gives size-based selectivity of CO 2 over CH4, based on pore-size distribution and modeling. Neutron powder diffraction and molecular dynamics simulations show the close packing of single rows of guests within the tubular nanostructure and interaction of CO2 with the exposed metal sites.

0897-4756
4640-4646
McCormick, Laura J.
f1c2f8cd-adcc-4bbf-9289-0b33a006d2bb
Duyker, Samuel G.
8aae41a7-ea30-4f6a-9515-d33b073e6182
Thornton, Aaron W.
5d345acc-9dd3-48e1-b870-5e68f477349e
Hawes, Chris S.
c3d2ccc1-40e2-4bf7-9eef-b4bfe8b8af20
Hill, Matthew R.
4c55653b-cde6-42be-9e0f-55803a408924
Peterson, Vanessa K.
da76c6c0-4718-40c3-9a63-587e54749ebc
Batten, Stuart R.
52b2fd45-5e56-4820-a239-a6ac7cf3144b
Turner, David R.
3dc388d6-7c67-4337-8463-7a2b087554cb
McCormick, Laura J.
f1c2f8cd-adcc-4bbf-9289-0b33a006d2bb
Duyker, Samuel G.
8aae41a7-ea30-4f6a-9515-d33b073e6182
Thornton, Aaron W.
5d345acc-9dd3-48e1-b870-5e68f477349e
Hawes, Chris S.
c3d2ccc1-40e2-4bf7-9eef-b4bfe8b8af20
Hill, Matthew R.
4c55653b-cde6-42be-9e0f-55803a408924
Peterson, Vanessa K.
da76c6c0-4718-40c3-9a63-587e54749ebc
Batten, Stuart R.
52b2fd45-5e56-4820-a239-a6ac7cf3144b
Turner, David R.
3dc388d6-7c67-4337-8463-7a2b087554cb

McCormick, Laura J., Duyker, Samuel G., Thornton, Aaron W., Hawes, Chris S., Hill, Matthew R., Peterson, Vanessa K., Batten, Stuart R. and Turner, David R. (2014) Ultramicroporous MOF with high concentration of vacant CuII sites. Chemistry of Materials, 26 (15), 4640-4646. (doi:10.1021/cm502189c).

Record type: Article

Abstract

An ultramicroporous metal-organic framework (MOF) is reported that contains 0.35 nm nanotube-like channels with an unprecedented concentration of vacant CuII coordination sites. The nonintersecting, narrow channels in [Cu3(cdm)4] (cdm = C(CN)2(CONH 2)-) align in two perpendicular directions, structurally resembling copper-doped carbon nanotubes with CuII embedded in the walls of the channels. The combination of ultramicroporosity with the exposed CuII coordination sites gives size-based selectivity of CO 2 over CH4, based on pore-size distribution and modeling. Neutron powder diffraction and molecular dynamics simulations show the close packing of single rows of guests within the tubular nanostructure and interaction of CO2 with the exposed metal sites.

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More information

e-pub ahead of print date: 30 July 2014
Published date: 12 August 2014

Identifiers

Local EPrints ID: 438218
URI: http://eprints.soton.ac.uk/id/eprint/438218
ISSN: 0897-4756
PURE UUID: fdc1c5dc-6a7a-492a-9114-8a2eadd43b2b
ORCID for Laura J. McCormick: ORCID iD orcid.org/0000-0002-6634-4717

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Date deposited: 04 Mar 2020 17:31
Last modified: 07 Oct 2020 02:27

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Contributors

Author: Samuel G. Duyker
Author: Aaron W. Thornton
Author: Chris S. Hawes
Author: Matthew R. Hill
Author: Vanessa K. Peterson
Author: Stuart R. Batten
Author: David R. Turner

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