Synthesis of two complexes of cadmium(II) iodide with benzenecarbothioamide (BCTA): Crystal and molecular structure of [Cd(BCTA)2I2] |
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Authors: | A. Castiñeiras A. Arquero J.R. Masaguer A. Ruiz-Amil S. Martinez-Carrera S. Garcia-Blanco |
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Affiliation: | Departamento de Química Inorgánica, Facultad de Ciencias Universidad Autónoma, Canto Blanco, Madrid-34, Spain;Instituto de Química Inorgánica “Elhuyar”, Serrano 113, Madrid-6, Spain;Departamento de Rayos X, Instituto “Rocasolano”, Serrano 119, Madrid-6, Spain |
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Abstract: | The reaction between CdI2 and benzenecarbothioamide (BCTA) in ethanol produces crystalline [Cd(BCTA)2I2] but in 1,2-dichloroethane it yields [Cd(BCTA)I2] in powder form. [Cd(BCTA)2I2] has been characterized by X-ray crystallography, and both complexes have also been identified by infrared spectra in the solid phase, 1H NMR, and electrical conductivity studies in solution. The crystals of [Cd(BCTA)2I2] are monoclinic, space group P21/c, with a = 747.6(1) pm, b = 1958.7(13) pm, c = 1363.6(6) pm, β = 110.307(3)° and Z = 4. Least-squares refinement of the structure based on 4260 observations led to final discrepancy indices of R = 0.043 and Rw = 0.054. The geometry around the cadmium atom is slightly distorted from the tetrahedral. The BCTA is coordinated through the sulphur atom: CdI(1) = 277.2(1) pm, CdI(2) = 272.6(1) pm, CdS(1) = 256.7(3) pm, CdS(2) = 257.5(2) pm. The electrical conductivity studies and NMR and IR spectra are consistent with the structure found for [Cd(BCTA)2I2] and suggest a dimeric trans symmetric tetrahedral structure with halogen bridging (C2h) for [Cd(BCTA)I2]. |
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Keywords: | Author to whom correspondence should be addressed. Permanent address: Departamento de Química Inorgánica Facultad de Farmacia Universidad de Santiago de Compostela Spain. |
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