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2004 | 2 | 3 | 534-552

Article title

Crystal structure and spectral characterization of dimethylthallium (III) complexes with 2-mercaptonicotinic acid and esters


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Synthesis, spectral properties and crystal structure of dimethylthallium(III) complexes with 2-mercaptonicotinic acid (2mna), 2-mercapto-methyl-nicotinate (2mmn), 2-mercapto-ethyl-nicotinate (2men) and 2-mercapto-isopropyl-nicotinate (2min) are reported. The compounds were characterized using IR, multinuclear NMR (1H,13C,205Tl) and mass spectrometry (electrospray, ES-API). The molecular structures of [TlMe2(2mna)]·H2O, (1), [TlMe2(2mmn)], (2), [TlMe2(2men)], (3) and [TlMe2(2min)], (4) were determined by the single-crystal X-ray diffraction. In 1, the monodeprotonate O,S-bidentate ligand chelates one dimethylthallium (III) unit and simultaneously bridges (O and S) between two of these organometallic units. The Tl-O1′ and Tl-S″ interactions are leading to polymeric chain linked in a three-dimensional network by the hydrogen bonds formed between the water molecule and the oxygen O (2) atom of the acid. The thallium atom is in a distorted octahedral environment with a [TlC2O2S2] kernel. Compounds 2, 3 and 4 are similar, in all the cases already mentioned the ligand is NH deprotonated and is strongly coordinated to two dimethylthallium (III) units through the N and S atoms. Two additional weak interactions with the O and S atoms lead to a [TlC2NOS2] kernel for the metal atom, in which the coordination polyhedron is a very distorted octahedron with the methyl groups occupying the apical positions.










Physical description


1 - 9 - 2004
1 - 9 - 2004


  • Department of Inorganic Chemistry, “Alexandru Ioan Cuza” University, RO-700506, Iasi, Romania
  • Department of Inorganic Chemistry, University of Santiago de Compostela, 15782, Santiago de Compostela Galicia, Spain
  • Department of Inorganic Chemistry, University of Santiago de Compostela, 15782, Santiago de Compostela Galicia, Spain
  • Department of Inorganic Chemistry, University of Santiago de Compostela, 15782, Santiago de Compostela Galicia, Spain
  • Department of Inorganic Chemistry, University of Santiago de Compostela, 15782, Santiago de Compostela Galicia, Spain
  • São Carlos Institute of Physics, University of São Paulo, 13560, São Carlos, SP, Brazil
  • São Carlos Institute of Physics, University of São Paulo, 13560, São Carlos, SP, Brazil


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