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- W107721253 abstract "The new zinc(II) coordination polymer catena-poly[{aqua(η2-indole-3-carboxylato-O,O′)zinc}-μ-indole-3-carboxylato-O:O′], [Zn(I3CA)2(H2O)]n [Zn(I3CA)2(H2O)]n has been synthesized and characterized using infrared and Raman spectroscopy and X-ray single-crystal diffraction analysis. The crystals are monoclinic, space group Cc, with a = 33.319(7), b = 5.985(1), c = 8.291(2) Å, V = 1653.1(6) Å3 and z = 4. Each zinc centre is five-coordinated by the bidentate chelating indole-3-carboxylato, one oxygen atom bridging indole-3-carboxylato, water molecule and one oxygen atom bridging indole-3-carboxylato from an adjacent [Zn(I3CA)2(H2O)] unit. The Zn–O distances of 1.978(4), 1.987(3), 1.977(4), 1.983(3) and 2.519(4) Å, are typical for distances of such complexes. The infrared and Raman spectroscopic data of [Zn(I3CA)2(H2O)]n in the solid state are supported by X-ray analysis. The theoretical wavenumbers, infrared intensities and Raman scattering activities have been calculated by the density functional methods (B3LYP and mPW1PW) with the D95V**/LanL2DZ and 6-311++G(d,p)/LanL2DZ basis sets. The theoretical wavenumbers, infrared intensities and Raman scattering activities show a good agreement with experimental. Detailed band assignment has been made on the basis of the calculated potential energy distribution (PED). The results provide information on the strength of zinc-ligand bonding in complex." @default.
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- W107721253 date "2007-03-01" @default.
- W107721253 modified "2023-09-24" @default.
- W107721253 title "X-ray and vibrational spectra on metal complexes with indolecarboxylic acids" @default.
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- W107721253 doi "https://doi.org/10.1016/j.vibspec.2006.03.007" @default.
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