Synthesis and photoluminescence of the chiral compounds [ZnLCl2] · EtOH and ZnLCl2, where L is the (+)-3-Carene derivative containing pyrazoline and quinoline fragments: crystal structure of [ZnLCl2] · EtOH

The following chiral compounds were synthesized: [ZnLCl₂] · EtOH (I) and ZnLCl₂ (II), where L is the pyrazolin-5-ol derivative obtained from terpene (+)-3-carene. According to the X-ray diffraction data, the crystal structure of compound I is built of acentric molecules of the mononuclear ZnLCl₂ complex and EtOH molecules. In molecules of the complex, the Zn²⁺ ion is coordinated by two N atoms of the bidentate chelating ligand L and two Cl atoms at the vertices of the distorted tetrahedron. The intermolecular contacts and the hydrogen bonds Cl(1)…H-O(1) between the adjacent ZnLCl₂ molecules result in the formation of chains parallel to the y axis. The reactant L and solvate I possess weak photoluminescence in the visible spectral range. Complex II exhibits more intense photoluminescence at λ_max = 416 and 517 nm.     

Crystal structure of a new ternary molybdate in the Rb<Subscript>2</Subscript>MoO<Subscript>4</Subscript>-Eu<Subscript>2</Subscript>(MoO<Subscript>4</Subscript>)<Subscript>3</Subscript>-Hf(MoO<Subscript>4</Subscript>)<Subscript>2</Subscript> system

A ternary salt system Rb₂MoO₄-Eu₂(MoO₄)₃-Hf(MoO₄)₂ was studied in the subsolidus area by X-ray phase analysis. A novel ternary molybdate, Rb_4.98Eu_0.86Hf_1.11(MoO₄)₆, formed in the system. The Rb_4.98Eu_0.86Hf_1.11(MoO₄)₆ rubidium-europium-hafnium molybdate crystals were grown by solution-melt crystallization under the spontaneous nucleation conditions. The structure and composition of this compound were refined by single crystal X-ray diffraction (X8 APEX automated diffractometer, MoK _α radiation, 1753 F(hkl), R = 0.0183). The crystals are trigonal, a = b = 10.7264(1) Å, c = 38.6130(8) Å, V = 3847.44(9) ų, Z = 6, space group R \(\bar 3\) c. The three-dimensional mixed framework of the structure comprises Mo tetrahedra and two types of octahedra, (Eu,Hf)O₆ and HfO₆. The large cavities of the framework include two types of the rubidium atom. The distribution of the Eu³⁺ and Hf⁴⁺ cations over two crystallographic positions was refined.     

Crystal structure and photoluminescence of the optically active complex [ZnL1Cl2], where L1 = pyrazolylquinoline—a derivative of monoterpenoid (+)-3-carene

The optically active complex [ZnL¹Cl₂] (I), where L¹ = pyrazolylquinoline (a derivative of monoterpenoid (+)-3-carene) is obtained. Single crystals of compound I are grown and its crystal structure is determined from X-ray diffraction data (X8 APEX diffractometer, MoK _α radiation, 3031 F _hkl). The crystals of I are monoclinic; unit cell dimensions are: a = 8.4189(10) Å, b = 12.7194(11) Å, c = 9.7652(12) Å, β = 111.318(3)°, V = 974.14(19) ų, Z = 2, d _x = 1.499 g/cm³, space group P2₁. Complex I is composed of discrete mononuclear molecules. In coordination of Cl atoms and two N atoms of the bidentate cycling ligand L¹, a distorted tetrahedral Cl₂N₂ polyhedron forms at Zn. In the complex molecule, a fragment consisting of five-membered pyrazole and chelate rings, a five-membered carbocycle, and also two six-membered quinoline rings is almost planar. Solid complex I shows strong white photoluminescence at 300 K and λ_exc = 365 nm in the 400–700 nm range with λ_max = 490 nm.     

Crystal and molecular structure of the mixed-ligand complex Zn[S2CN(CH3)2]2Phen

The crystal and molecular structure of the mixed-ligand complex Zn[S₂CN(CH₃)₂]₂Phen is determined by single crystal X-ray diffractometry (CAD-4 diffractometer, MoK_α radiation, 3347 F(hkl), R = 0.0385). The crystals are monoclinic, a =13.340(3), b =13.827(3), c =24.698(5) å, Β =102.58(3)? V = 4446(2) å ³, Z = 8, d_calc = 1.452 g/cm³ , space group C2/c. The structure consists of monomeric molecules in which the zinc atom has a distorted octahedral environment (4S+2N). The molecular packing in the crystal involves dimers related by the 2 rotation axis and forming continuous chains along the c axis.