Quantum chemical calculations, based on Density Functional Theory (DFT) method, were performed on Calix[4]arene and Polychlorinated Dibenzo-p-dioxins (PCDDs) in gas and liquid phases for comparison purposes. The simulation results show the 1,2,3,4, 6,7,8,9-octachlorodibenzo-p-dioxin (OCDD) is quite a reactive dioxin. This paper attempts to examine the possibility of dioxin adsorption by Calix[n...

Cone-shaped calix[4]arene-tetrol 3 has the ability to form open structures due presence of four OH groups at upper rim, which allows construction H-bonded supramolecular organic frameworks (SOFs). In water, SOF-1 is formed, contains hydrophilic channels (mean diameter 8.5 Å) contoured by p-phenolic groups. acetonitrile, SOF-2 smaller hydrophobic 6.6 delimited aromatic walls. The Na+@3 complex, ...

In the crystal structure of the title compound, C(60)H(70)N(2)O(10)·4CH(3)CN, the calix[4]arene mol-ecule adopts an open-cone conformation with two intra-molecular O-H⋯O hydrogen bonds. The four benzene rings of the calix[4]arene are twisted to the mean plane defined by four methyl-ene C atoms bridging the benzene rings, with dihedral angles ranging from 57.74 (10) to 65.99 (12)°. Two pendant n...

Driven by an interest in the impact of para-substituent calix[4]arenes on metal complexation and structural chemistry, studies p-cyclohexylcalix[4]arene (L) have been carried out. The 1:1 dichloromethane dimethylformamide solvates were found to be isostructural, different typical bilayer structure often observed for p-t-butylcalix[4]arene solvates. methanol solvate, contrast, does form a bilaye...

An efficient blue light emitting diode based on solution processable pyrene-1,3-alt-calix[4]arene is demonstrated, providing a record current efficiency of 10.5 cd A(-1) in a simple non-doped OLED configuration. Complete suppression of pyrene aggregation in the solid state is achieved by controlling chromophore dispersion using the 1,3-alt-calix[4]arene scaffold.

calixarenes are a readily available and important class of macrocycles in supramolecularchemistry. calixarenes have generated considerable interest due to their basket shaped structureand as useful building blocks to synthesize selective receptors for the guest species, notably alkali,alkaline earth, lanthanide and transition metal cations. in this work studied on the complexingproperties of a ...

Although various complex, bulky ligands have been used to functionalize plasmonic gold nanoparticles, introducing them to small, atomically precise gold clusters is not trivial. Here, we demonstrate a simple one-pot procedure to synthesize fluorescent magic number Au25 clusters carrying controlled amounts of bulky calix[4]arene functionalities. These clusters are obtained from a synthesis feed ...

In the title compound, C(56)H(44)Br(4)O(4), the calix[4]arene unit displays the 1,2-alternate conformation with crystallograpically imposed inversion symmetry. The four phen-oxy rings of the calix[4]arene unit are twisted about the mean plane defined by the four methyl-ene C atoms bridging the benzene rings, with dihedral angles of 46.73 (6) and 66.11 (5)°. The dihedral angle between adjacent p...

This work reports a new method to covalently attach calix[4]arene derivatives onto MCM-41, using a diisocyanate as a linker. The modified mesoporous silicates were characterized by fourier transform infrared spectroscopy (FTIR), thermal analysis (TGA) and elemental analysis. The FTIR spectra and TGA analysis verified that the calix[4]arene derivates are covalently attached to the mesoporous sil...

Three large negatively charged organic host molecules; β-cyclodextrin sulphate, para-sulphonato-calix[6]arene and para-sulphonato-calix[8]arene have been shown to be effective inhibitors of endonuclease in the low micromolar range, additionally para-sulphonato-calix[8]arene is a partial inhibitor of rhDNase I.