Synthesis, characterization and theoretical calculations of Cu(I) complex of trithiocyanuric acid [Cu(ttc)3]

A new Cu(I) complex constructed by reaction of trithiocyanuric acid (ttc) and copper (II) perchlorate hexahydrate has been successfully synthesized by a slow sedimentation method in a DMF solvent at room temperature. The molecular structure of the compound was elucidated by MALDI-TOFMS, UV Vis and FTIR spectroscopy, DSC-TGA analysis and magnetic susceptibility measurement. The proposed structure was corroborated by a computational study carried out with the Gaussian09 and AIMAII programs using the RB3LYP hybrid DFT functional with both 6-31G and Alhrich-TZV basis sets. The calculated vibrational frequencies values were compared with experimental FTIR values. Photophysical properties of the synthesized complex were evaluated by UV-Visible spectroscopy and compared with computed vertical excitation obtained from TDDFT. The theoretical vibrational frequencies and the UV Vis spectra are in good agreement with the experimental values. Additionally, the Frontier Molecular Orbitals (HOMO-LUMO) and the Molecular Electrostatic Potential of the complex was calculated using same theoretical approximation. The results showed the interaction between three coordinatedl igand atoms and the Cu(I) ion.

Cu(ClO4)2·6H2O catalyzed solvent free per-O-acetylation and sequential one-pot conversions of sugars to thioglycosides

The solvent free per-O-acetylation of various reducing and non-reducing sugars has been carried out using stoichiometric amounts of acetic anhydride and copper(ii) perchlorate hexahydrate as the catalyst.

Crystal structures of Ca(ClO4)2·4H2O and Ca(ClO4)2·6H2O

The title compounds, calcium perchlorate tetrahydrate and calcium perchlorate hexahydrate, were crystallized at low temperatures according to the solid–liquid phase diagram. The structure of the tetrahydrate consists of one Ca2+cation eightfold coordinated in a square-antiprismatic fashion by four water molecules and four O atoms of four perchlorate tetrahedra, forming chains parallel to [01-1] by sharing corners of the ClO4tetrahedra. The structure of the hexahydrate contains two different Ca2+cations, each coordinated by six water molecules and two O atoms of two perchlorate tetrahedra, forming [Ca(H2O)6(ClO4)]2dimers by sharing two ClO4tetrahedra. The dimers are arranged in sheets parallel (001) and alternate with layers of non-coordinating ClO4tetrahedra. O—H...O hydrogen bonds between the water molecules as donor and ClO4tetrahedra and water molecules as acceptor groups lead to the formation of a three-dimensional network in the two structures. Ca(ClO4)2·6H2O was refined as a two-component inversion twin, with an approximate twin component ratio of 1:1 in each of the two structures.

Crystal structure of tin(II) perchlorate trihydrate

The title compound, [Sn(H2O)3](ClO4)2, was synthesized by the redox reaction of copper(II) perchlorate hexahydrate and metallic tin in perchloric acid. Both the trigonal–pyramidal [Sn(H2O)3]2+cations and tetrahedral perchlorate anions lie on crystallographic threefold axes. In the crystal, the cations are linked to the anions by O—H...O hydrogen bonds, generating (001) sheets.