Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1251064 | Vibrational Spectroscopy | 2007 | 10 Pages |
Abstract
The catena-poly[{aqua(η2-indole-3-propionato-O,Oâ²)zinc}-η2-:-μ-indole-3-propionato-O,Oâ²:-O], [Zn(I3PA)2(H2O)]n was prepared and characterized by infrared spectroscopy and X-ray structure determination. The crystals are monoclinic, space group Pc, with a = 21.380(2), b = 5.9076(7), c = 8.1215(9) Ã
, VÂ =Â 1020.2(2)Â Ã
3 and ZÂ =Â 2. The central zinc atom shows the coordination distorted from ideal octahedral. Each zinc centre is coordinated by two oxygen atoms of the bidentate chelating indole-3-propionato (I3PA), two oxygen atoms tridentate chelating-bridging I3PA, water molecule and one oxygen atom tridentate chelating-bridging I3PA from an adjacent [Zn(I3PA)2(H2O)] unit. The infrared spectrum of [Zn(I3PA)2(H2O)]n in the solid state is supported by X-ray analysis. The theoretical wavenumbers and infrared intensities have been calculated by the density functional methods (B3LYP and mPW1PW) with the 6-311++G(d,p)/LanL2DZ basis sets. The theoretical wavenumbers, infrared intensities show a good agreement with experimental data. Detailed band assignment has been made on the basis of the calculated potential energy distribution (PED).
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
Barbara Morzyk-Ociepa, Ewa Rozycka-Sokolowska,