5 research outputs found
Hardy's Inequality for the fractional powers of Grushin operator
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
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
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
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
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)