Ultramicroporous MOF with High Concentration of Vacant CuII Sites

McCormick, Laura J.; Duyker, Samuel G.; Thornton, Aaron W.; Hawes, Chris S.; Hill, Matthew R.; Peterson, Vanessa K.; Batten, Stuart R.; Turner, David. R.

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(CONH2)−) 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 CO2 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.

Citation

McCormick, L. J., Duyker, S. G., Thornton, A. W., Hawes, C. S., Hill, M. R., Peterson, V. K., …Turner, D. R. (2014). Ultramicroporous MOF with High Concentration of Vacant CuII Sites. Chemistry of Materials, 26(15), 4640-4646. https://doi.org/10.1021/cm502189c

• Journal Article Type: Article
• Online Publication Date: Jul 30, 2014
• Publication Date: Aug 12, 2014
• Deposit Date: Jun 16, 2023
• Journal: Chemistry of Materials
• Print ISSN: 0897-4756
• Electronic ISSN: 1520-5002
• Publisher: American Chemical Society
• Peer Reviewed: Peer Reviewed
• Volume: 26
• Issue: 15
• Pages: 4640-4646
• DOI: https://doi.org/10.1021/cm502189c
• Keywords: Materials Chemistry; General Chemical Engineering; General Chemistry