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Journal of Structural Chemistry

2010 year, number 3

CRYSTAL STRUCTURE AND PHOTOLUMINESCENCE OF THE OPTICALLY ACTIVE COMPLEX [ZnL1Cl2], WHERE L1 = PYRAZOLYLQUINOLINE - A DERIVATIVE OF MONOTERPENOID (+)-3-CARENE

S. V. Larionov, Z. A. Savel'eva, R. F. Klevtsova, L. A. Glinskaya, E. M. Uskov, S. A. Popov, A. V. Tkachev
Keywords: synthesis, complex Zn(II), crystal and molecular structure, terpenoids, chirality, photoluminescence
Pages: 537-543

Abstract

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 (Х8 АРЕХ diffractometer, МоKα radiation, 3031 Fhkl). 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) Å3, Z = 2, dx = 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 λexc = 365 nm in the 400-700 nm range with λmax = 490 nm.