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Two 3D metal-organic frameworks of Cd(II): modulation of structures and porous properties based on linker functionalities

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dc.contributor.author Haldar, Ritesh
dc.contributor.author Bonakala, Satyanarayana
dc.contributor.author Kanoo, Prakash
dc.contributor.author Balasubramanian, Sundaram
dc.contributor.author Maji, Tapas Kumar
dc.date.accessioned 2017-02-21T07:02:07Z
dc.date.available 2017-02-21T07:02:07Z
dc.date.issued 2014
dc.identifier.citation Haldar, R; Bonakala, S; Kanoo, P; Balasubramanian, S; Maji, TK, Two 3D metal-organic frameworks of Cd(II): modulation of structures and porous properties based on linker functionalities. Crystengcomm 2014, 16 (22) 4877-4885, http://dx.doi.org/10.1039/c4ce00190g en_US
dc.identifier.citation Crystengcomm en_US
dc.identifier.citation 16 en_US
dc.identifier.citation 22 en_US
dc.identifier.issn 1466-8033
dc.identifier.uri https://libjncir.jncasr.ac.in/xmlui/10572/2424
dc.description Restricted Access en_US
dc.description.abstract Two new Cd(II) based metal-organic frameworks (MOFs), {[ Cd(NH2-bdc)(bpe)] center dot 0.5EtOH}(n) (1) and {[ Cd(NO2-bdc)(azbpy)] center dot 4H(2)O} n (2) (NH2-bdc = 2-amino terephthalic acid, bpe = 1,2-bis(4-pyridyl) ethane, NO2-bdc = 2-nitro terephthalic acid, azbpy = 4,4'-azobipyridine), have been synthesized by a solvent diffusion technique and structurally characterized. Both the frameworks are constructed based on exo-bidentate pyridyl type linkers of similar length but different functionalities. Compound 1 has a 3D structure in which the -NH2 functional group of NH2-bdc is coordinated to Cd(II) and a 1D ultra-micropore accommodates ethanol guest molecules. The desolvated framework of 1 (1') is rigid as realized from the PXRD patterns and shows a type-I CO2 uptake profile with a reasonably high isosteric heat of adsorption value. Density functional theory (DFT) calculation shows that aromatic p electrons interact strongly with CO2 and the binding energy is 33.4 kJ mol(-1). Compound 2 has a two-fold interpenetrated 3D porous framework structure where pendent -NO2 groups of NO2-bdc are aligned on the pore surface. The desolvated framework (2') exhibits structural transformation and is nonporous to N-2. Smaller and gradual CO2 uptake in 2' can be attributed to the structural contraction. The solvent (H2O, MeOH and EtOH) vapour adsorption studies suggest that the pore surface of 2' is hydrophobic in nature. en_US
dc.description.uri http://dx.doi.org/10.1039/c4ce00190g en_US
dc.language.iso English en_US
dc.publisher Royal Society of Chemistry en_US
dc.rights @Royal Society of Chemistry, 2014 en_US
dc.subject Chemistry en_US
dc.subject Crystallography en_US
dc.subject Carbon-Dioxide Uptake en_US
dc.subject Molecular-Dynamics en_US
dc.subject Co2 Uptake en_US
dc.subject Adsorption Properties en_US
dc.subject Stoichiometry en_US
dc.subject Simulations en_US
dc.subject Selectivity en_US
dc.subject Separation en_US
dc.subject Isomerism en_US
dc.subject Catalysis en_US
dc.title Two 3D metal-organic frameworks of Cd(II): modulation of structures and porous properties based on linker functionalities en_US
dc.type Article en_US


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