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Distortions of a flexible metal-organic framework from substituted pendant ligands
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Munn, Alexis S. , Clarkson, Guy J. and Walton, Richard I. (2014) Distortions of a flexible metal-organic framework from substituted pendant ligands. Acta Crystallographica Section B structural Science, Crystal Engineering and Materials, Volume 70 (Number 1). pp. 11-18. doi:10.1107/S2052520613027224 ISSN 2052-5206.
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Official URL: http://dx.doi.org/10.1107/S2052520613027224
Abstract
Four new variants of the 1,4-benzenedicarboxylate MIL-53 structure have been prepared for CoII under solvothermal conditions and their structures solved and refined from single-crystal X-ray data. All materials contain pendant pyridine-N-oxide ligands that bridge pairs of CoII atoms in the inorganic backbone of the structure via O. By the use of the ligands 3-bromopyridine-N-oxide, 4-methoxypyridine-N-oxide, isoquinoline-N-oxide and 4-phenylpyridine-N-oxide, materials are prepared with the same topology but distinct structures. These illustrate how the MIL-53 structure is able to distort to accommodate the bulk of the various substituents on the pyridine ring. The bulkiest pendant ligand, 4-phenylpyridine-N-oxide, results in a distortion of the diamond-shaped channels in an opposite sense to that seen previously in expanded forms of the parent MIL-53 structure. By comparison with published crystal structures for MIL-53 with various occluded guests, the structural distortions that take place to accommodate the pendant ligands are quantified and it is shown how a twisting of the 1,4-benzenedicarboxylate ligand, instead of a hinging about the [mu]2-carboxylate-metal connection, allows the new structures that are observed.
Item Type: | Journal Article | ||||||||
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry | ||||||||
Journal or Publication Title: | Acta Crystallographica Section B structural Science, Crystal Engineering and Materials | ||||||||
Publisher: | Wiley-Blackwell Publishing Ltd. | ||||||||
ISSN: | 2052-5206 | ||||||||
Official Date: | February 2014 | ||||||||
Dates: |
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Volume: | Volume 70 | ||||||||
Number: | Number 1 | ||||||||
Page Range: | pp. 11-18 | ||||||||
DOI: | 10.1107/S2052520613027224 | ||||||||
Status: | Peer Reviewed | ||||||||
Publication Status: | Published | ||||||||
Access rights to Published version: | Restricted or Subscription Access |
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