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A Neutral Cluster Cage with a Tetrahedral [Pd12IIL6] Framework: Crystal Structures and Host-Guest Studies

Show simple item record GUPTA, ARVIND K. en_US Yadav, Ashok en_US Srivastava, Anant Kumar en_US RAMYA, K. R. en_US PAITHANKAR, HARSHAD en_US NANDI, SHYAMAPADA en_US CHUGH, JEETENDER en_US BOOMISHANKAR, RAMAMOORTHY en_US 2019-03-15T11:23:38Z 2019-03-15T11:23:38Z 2015-04 en_US
dc.identifier.citation Inorganic Chemistry, 54 (7),3196-3202. en_US
dc.identifier.issn 0020-1669 en_US
dc.identifier.issn 1520-510X en_US
dc.identifier.uri en_US
dc.description.abstract A charge-neutral tetrahedral [(Pd3X)4L6] cage assembly built from a trinuclear polyhedral building unit (PBU), [Pd3X]3+, cis-blocked with an imido P(V) ligand, [(NiPr)3PO]3– (X3–), and oxalate dianions (L2–) is reported. Use of benzoate or ferrocene dicarboxylate anions, which do not offer wide-angle chelation as that of oxalate dianions, leads to smaller prismatic clusters instead of polyhedral cage assemblies. The porosity of the tetrahedral cage assembly was determined by gas adsorption studies, which show a higher uptake capacity for CO2 over N2 and H2. The tetrahedral cage was shown to encapsulate a wide range of neutral guest solvents from polar to nonpolar such as dimethyl sulfoxide, benzene, dichloromethane, chloroform, carbon tetrachloride, and cyclopentane as observed by mass spectral and single-crystal X-ray diffraction studies. The 1H two-dimensional diffusion ordered spectroscopy NMR analysis shows that the host and guest molecules exhibit similar diffusion coefficients in all the studied host–guest systems. Further, the tetrahedral cage shows selective binding of benzene, CCl4, and cyclopentane among other solvents from their categories as evidenced from mass spectral analysis. A preliminary density functional theory analysis gave a highest binding energy for benzene among the other solvents that were structurally shown to be encapsulated at the intrinsic cavity of the tetrahedral cage. en_US
dc.language.iso en en_US
dc.publisher American Chemical Society en_US
dc.subject Neutral Cluster Cage en_US
dc.subject Crystal Structures en_US
dc.subject Host-Guest Studies en_US
dc.subject Use of benzoate en_US
dc.subject Tetrahedral cage en_US
dc.subject 2015 en_US
dc.title A Neutral Cluster Cage with a Tetrahedral [Pd12IIL6] Framework: Crystal Structures and Host-Guest Studies en_US
dc.type Article en_US
dc.contributor.department Dept. of Chemistry en_US
dc.identifier.sourcetitle Inorganic Chemistry en_US
dc.publication.originofpublisher Foreign en_US

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