5 research outputs found

    Hardy's Inequality for the fractional powers of Grushin operator

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    We prove Hardy's inequality for the fractional powers of the generalized sublaplacian and the fractional powers of the Grushin operator. We also find an integral representation and a ground state representation for the fractional powers of generalized sublaplacian

    Structural and DFT Studies on the Polymorphism of a Cadmium(II) Dipicolinate Coordination Polymer

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    The coordination polymer [Cd<sub>2</sub>(dipic)<sub>2</sub>(H<sub>2</sub>O)<sub>3</sub>]<sub><i>n</i></sub> was prepared by the reaction of cadmium­(II) chloride or bromide and dipicolinic acid (dipicH<sub>2</sub>) at 60 °C under autogenous pressure. The <i>C</i>2/<i>c</i> polymorph (<b>1</b>) was almost exclusively obtained. However, a few crystals of the <i>P</i>2/<i>c</i> polymorph (<b>2</b>) were occasionally found in the mixture with the <i>C</i>2/<i>c</i> polymorph, thus making it a disappearing and concomitant polymorph. The polymeric chains in <b>1</b> are connected into dimers by π–π interaction and O–H···O hydrogen bonds. These dimers are in turn connected by intermolecular O–H···O hydrogen bonds into a 2D network. The polymeric chains in <b>2</b> are connected by intermolecular O–H···O hydrogen bonds into a zigzag chain along the [001] direction. According to DFT calculations, the hydrogen bonding is of similar order in both polymorphs (∼7.5 kcal mol<sup>–1</sup> per hydrogen bond). However, there is additional stability imparted in <b>1</b>, as shown by dispersion-corrected DFT, through π–π stacking between polymeric chains, making <b>1</b> the thermodynamically favored polymorph. Polymorph <b>1</b> was characterized by IR spectroscopy, PXRD analysis, and TGA and DSC methods. The DSC analysis did not show any sign of phase transition between <b>1</b> and <b>2</b>. This was also confirmed by variable temperature PXRD, since the pattern of <b>1</b> remained unchanged until the decomposition of <b>1</b>

    Structural and DFT Studies on the Polymorphism of a Cadmium(II) Dipicolinate Coordination Polymer

    No full text
    The coordination polymer [Cd<sub>2</sub>(dipic)<sub>2</sub>(H<sub>2</sub>O)<sub>3</sub>]<sub><i>n</i></sub> was prepared by the reaction of cadmium­(II) chloride or bromide and dipicolinic acid (dipicH<sub>2</sub>) at 60 °C under autogenous pressure. The <i>C</i>2/<i>c</i> polymorph (<b>1</b>) was almost exclusively obtained. However, a few crystals of the <i>P</i>2/<i>c</i> polymorph (<b>2</b>) were occasionally found in the mixture with the <i>C</i>2/<i>c</i> polymorph, thus making it a disappearing and concomitant polymorph. The polymeric chains in <b>1</b> are connected into dimers by π–π interaction and O–H···O hydrogen bonds. These dimers are in turn connected by intermolecular O–H···O hydrogen bonds into a 2D network. The polymeric chains in <b>2</b> are connected by intermolecular O–H···O hydrogen bonds into a zigzag chain along the [001] direction. According to DFT calculations, the hydrogen bonding is of similar order in both polymorphs (∼7.5 kcal mol<sup>–1</sup> per hydrogen bond). However, there is additional stability imparted in <b>1</b>, as shown by dispersion-corrected DFT, through π–π stacking between polymeric chains, making <b>1</b> the thermodynamically favored polymorph. Polymorph <b>1</b> was characterized by IR spectroscopy, PXRD analysis, and TGA and DSC methods. The DSC analysis did not show any sign of phase transition between <b>1</b> and <b>2</b>. This was also confirmed by variable temperature PXRD, since the pattern of <b>1</b> remained unchanged until the decomposition of <b>1</b>

    Single-Crystal-to-Single-Crystal Transformation of a Novel 2‑Fold Interpenetrated Cadmium-Organic Framework with Trimesate and 1,2-Bis(4-pyridyl)ethane into the Thermally Desolvated Form Which Exhibits Liquid and Gas Sorption Properties

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    A novel 2-fold interpenetrated, pillared, cadmium metal–organic framework, namely, [Cd­(HBTC)­BPE]<sub><i>n</i></sub>·<i>n</i>DMF, has been synthesized using 1,3,5-benzenetricarboxylic acid and 1,2-bis­(4-pyridyl)­ethane (BPE). This compound has been desolvated and subjected to various liquids and gases for sorption studies. Structures of the as-synthesized (<b>1</b>), desolvated (<b>2</b>), and resolvated in benzene (<b>3</b>) have been determined by single-crystal X-ray diffraction analysis and further characterized by elemental analysis, IR spectra, and thermogravimetric/differential scanning calorimetry analysis. Single crystal X-ray analysis revealed a 2-fold interpenetrated, three-dimensional (3D) framework which exhibits a 3,5-connected network with the Schläfli symbol of [(6<sup>3</sup>)­(6<sup>9</sup>.8) and <i>hms</i> topology. Compound <b>1</b> exhibits a temperature-induced single-crystal-to-single-crystal (SC–SC) transformation upon the release of <i>N</i>,<i>N</i>′-dimethylformamide molecules forming compound <b>2</b> (stable up to 300 °C). SC–SC transformation is also observed when it is immersed in benzene, chloroform, 1,4-dioxane, and tetrahydrofuran. The uptake of different solvent molecules was analyzed, and desolvated samples selectively adsorb benzene, chloroform, 1,4-dioxane, and THF molecules over other selected polar solvents. Gas (N<sub>2</sub>, CO<sub>2</sub>, and N<sub>2</sub>O) sorption experiments were also performed and the structure showed 2.5% N<sub>2</sub>, 4.5% CO<sub>2</sub>, and 3.4% N<sub>2</sub>O absorption by mass at room temperature and moderate gas pressures (∼10 bar)

    Single-Crystal-to-Single-Crystal Transformation of a Novel 2‑Fold Interpenetrated Cadmium-Organic Framework with Trimesate and 1,2-Bis(4-pyridyl)ethane into the Thermally Desolvated Form Which Exhibits Liquid and Gas Sorption Properties

    No full text
    A novel 2-fold interpenetrated, pillared, cadmium metal–organic framework, namely, [Cd­(HBTC)­BPE]<sub><i>n</i></sub>·<i>n</i>DMF, has been synthesized using 1,3,5-benzenetricarboxylic acid and 1,2-bis­(4-pyridyl)­ethane (BPE). This compound has been desolvated and subjected to various liquids and gases for sorption studies. Structures of the as-synthesized (<b>1</b>), desolvated (<b>2</b>), and resolvated in benzene (<b>3</b>) have been determined by single-crystal X-ray diffraction analysis and further characterized by elemental analysis, IR spectra, and thermogravimetric/differential scanning calorimetry analysis. Single crystal X-ray analysis revealed a 2-fold interpenetrated, three-dimensional (3D) framework which exhibits a 3,5-connected network with the Schläfli symbol of [(6<sup>3</sup>)­(6<sup>9</sup>.8) and <i>hms</i> topology. Compound <b>1</b> exhibits a temperature-induced single-crystal-to-single-crystal (SC–SC) transformation upon the release of <i>N</i>,<i>N</i>′-dimethylformamide molecules forming compound <b>2</b> (stable up to 300 °C). SC–SC transformation is also observed when it is immersed in benzene, chloroform, 1,4-dioxane, and tetrahydrofuran. The uptake of different solvent molecules was analyzed, and desolvated samples selectively adsorb benzene, chloroform, 1,4-dioxane, and THF molecules over other selected polar solvents. Gas (N<sub>2</sub>, CO<sub>2</sub>, and N<sub>2</sub>O) sorption experiments were also performed and the structure showed 2.5% N<sub>2</sub>, 4.5% CO<sub>2</sub>, and 3.4% N<sub>2</sub>O absorption by mass at room temperature and moderate gas pressures (∼10 bar)
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