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Cd-113 Nuclear Magnetic Resonance as a Probe of Structural Dynamics in a Flexible Porous Framework Showing Selective O-2/N-2 and CO2/N-2 Adsorption

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dc.contributor.author Haldar, Ritesh
dc.contributor.author Inukai, Munehiro
dc.contributor.author Horike, Satoshi
dc.contributor.author Uemura, Kazuhiro
dc.contributor.author Kitagawa, Susumu
dc.contributor.author Maji, Tapas Kumar
dc.date.accessioned 2017-01-24T06:25:42Z
dc.date.available 2017-01-24T06:25:42Z
dc.date.issued 2016
dc.identifier.citation Haldar, R.; Inukai, M.; Horike, S.; Uemura, K.; Kitagawa, S.; Maji, T. K., Cd-113 Nuclear Magnetic Resonance as a Probe of Structural Dynamics in a Flexible Porous Framework Showing Selective O-2/N-2 and CO2/N-2 Adsorption. Inorganic Chemistry 2016, 55 (9), 4166-4172 http://dx.doi.org/10.1021/acs.inorgchem.5b02873 en_US
dc.identifier.citation Inorganic Chemistry en_US
dc.identifier.citation 55 en_US
dc.identifier.citation 9 en_US
dc.identifier.issn 0020-1669
dc.identifier.uri https://libjncir.jncasr.ac.in/xmlui/10572/2145
dc.description Restricted Access en_US
dc.description.abstract Two new isomorphous three-dimensional porous coordination polymers, {[Cd(bpe)(0.5)(bdc)(H2O)]center dot EtOH}n (1) and {[Cd(bpe)(0.5)(bdc)(H2O)]center dot 2H(2)O}n (2) [bpe = 1,2-bis(4-pyridyl)ethane, and H2bdc = 1,4-benzenedicarboxylic acid], have been synthesized by altering the solvent media. Both structures contain one-dimensional channels filled with metal-bound water and guest solvent molecules, and desolvated frameworks show significant changes in structure. However, exposure to the solvent vapors (water and methanol) reverts the structure back to the as-synthesized structure, and thus, the reversible flexible nature of the structure was elucidated. The flexibility and permanent porosity were further reinforced from the CO2 adsorption profiles (195 and 273 K) that show stepwise uptake. Moreover, a high selectivity for O-2 over N-2 at 77 K was realized. The framework exhibits interesting solvent vapor adsorption behavior with dynamic structural transformation depending upon the size, polarity, and coordination ability of the solvent molecules. Further investigation was conducted by solid state Cd-113 nuclear magnetic resonance (NMR) spectroscopy that unambiguously advocates the reversible transformation pentagonal-bipyramidal CdO6N -> octahedral CdO5N geometry in the desolvated state. For the first time, Cd-113 NMR has been used as a probe of structural flexibility in a porous coordination polymer system. en_US
dc.description.uri 1520-510X en_US
dc.description.uri http://dx.doi.org/10.1021/acs.inorgchem.5b02873 en_US
dc.language.iso English en_US
dc.publisher American Chemical Society en_US
dc.rights @American Chemical Society, 2016 en_US
dc.subject Chemistry en_US
dc.subject Metal-Organic Frameworks en_US
dc.subject Coordination-Polymer en_US
dc.subject Single-Crystal en_US
dc.subject Small Molecules en_US
dc.subject Carbon-Dioxide en_US
dc.subject Sorption Properties en_US
dc.subject Shielding Tensors en_US
dc.subject Cadmium Compounds en_US
dc.subject Energy-Transfer en_US
dc.subject Gas-Adsorption en_US
dc.title Cd-113 Nuclear Magnetic Resonance as a Probe of Structural Dynamics in a Flexible Porous Framework Showing Selective O-2/N-2 and CO2/N-2 Adsorption en_US
dc.type Article en_US


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