Calix[8]arenes of conformational rigid were isolated. The NMR parameters of the structure of calix[8]arenes have been compared. The study of organic structures to form nanoporous materials is well-known in chemistry phenomena to find the crystal form of calix[8]arene as supramolecule. Investigated and compared hydrogen bonding, oxygen and nitrogen atoms effect on calix[8]arene and its complexes...

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...

Calix[8]arenes of conformational rigid were isolated. The NMR parameters of the structure of calix[8]arenes have been compared. The study of organic structures to form nanoporous materials is well-known in chemistry phenomena to find the crystal form of calix[8]arene as supramolecule. Investigated and compared hydrogen bonding, oxygen and nitrogen atoms effect on calix[8]arene and its complexes...

The aim of research the synthesis 5,11,17,23-tetra(t-butyl)-25-monohydroxy-26,27,28-tribenzoyloxycalix[4]arene (TBMTCA) material were by one-step synthesized benzoylation reaction 5,11,17,23-tetra(t-butyl)-25,26,27,28-tetrahydroxycalix[4]arene (TBCA) and benzoyl chloride is (1: 3,7) mol refluxing 3 hours at room temperature predicted mechanism models. product was carried out means FTIR 1H-NMR s...

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 ...

The inside cover picture illustrates a new approach that was devised for the Friedel-Crafts acylation reaction, involving combination of an activated amide and arene. To activate arene, catalytic system composed [Pd(cinnamyl)Cl]2 Cu(OTf)2 employed. reaction between arene resulted in formation desired aryl ketone, demonstrating favorable yields. This advancement opens up possibilities synthesis ...

New ferrocene substituted calix[4 and 5]arenes have been prepared and the crystal structure of a lower-rim substituted bis ferrocene calix[4]arene (7) has been elucidated. The respective ferrocene/ferrocenium redox-couples of compounds 6 (a calix[4]arene tetra ferrocene amide) and 8 (a calix[5]arene pentaferrocene amide) are shown to be significantly cathodically perturbed in the presence of an...

Representative models of the different geometries observed for uranyl complexes with fully deprotonated p-R-hexahomotrioxacalix[3]arene (R = tert-Bu, Me) ligands, among which is the rare trigonal geometry, have been investigated using all-electron scalar relativistic density functional theory (DFT). Optimized structures of complexes incorporating triethylammonium (HNEt3+) and 4-methylpiperidini...

In the title compound, C(8)H(7)Br(2)NO(2), an inter-mediate for the synthesis of macrocycles, the NO(2) group makes a dihedral angle of 65.07 (19)° with the arene ring, and the bromo-methyl substituents adopt a trans conformation about the ring such that the mol-ecule closely approximates C2 symmetry.

The title compound, C15H18NO3PS·C6H6, is a rare example of a crystallographically characterized exocyclic phosphiniminium-arene-sulfonate zwitterion, which crystallises as its benzene solvate. The crystal structure shows that the N atom is protonated and that the iminium H atom forms both intra- and inter-molecular hydrogen bonds to the single-bonded sulfonate O atom in an R 2 (2)(4) graph-set ...