527697-45-6

Upstream product

• 2570-63-0 thallium(III) acetate 

Downstream Products

• 169311-70-0 chloro-[meso-tetra(p-chlorophenyl)porphyrinato]thallium(III) 

Relevant academic research and scientific papers

Thallium complexes of meso-tetra-(p-chlorophenyl)porphyrin: Trifluoroacetato-[meso-tetra(p-chlorophenyl) porphyrinato]thallium(III) and pentafluoropropionato-[meso-tetra(p-chlorophenyl)porphyrinato]thallium(III)

The crystal structures of trifluoroacetato-[meso-tetra(p-chlorophenyl)porphyrinatolthallium(III), Tl[(p-Cl)4tpp](O2-CCF3) (1), and pentafluoropropionato-[meso-tetra(p-chlorophenyl)porphyrinato]thallium(III) Tl[(p-Cl)4tpp](O2CCF2CF3) (2), were determined. The coordination sphere around the Tl3+ ion is described as five-coordinate regular square-based pyramid (RSBP) in which the apical site is occupied by an unidentate CF3CO2- ligand for 1 whereas the unidentate CF3CF2CO2- ligand occupies the axial site for 2. The plane of the four pyrrole nitrogen atoms [i.e., N(1)-N(4)] strongly bonded to Tl3+ is adopted as a reference plane 4N. The Tl3+ is moderately out of the 4N plane; its displacement of 0.58 ? (or 0.59 ?) for 1 (or 2) is in the same direction as that of the trifluoroacetate oxygen for 1 (or pentafluoropropionate oxygen for 2). The free energy of activation at the coalescence temperature Tc for the intermolecular trifluoroacetate exchange for 1 in CD2Cl2 is found to be ΔG178≠ = 36.6 kJ/mol whereas the intermolecular pentafluoropropionate exchange for 2 in CD2Cl2 is determined to be ΔG213≠ = 41.5 kJ/mol through 19F and 13C NMR temperature-dependent measurements.

Metal complexes of meso-tetra-(p-chlorophenyl)porphyrin and meso-tetra-(p-bromophenyl)porphyrin: Tl[(p-Cl)4tpp](OAc) and In[(p-X)4tpp](OAc) [X = Cl, Br, tpp = 5,10,15,20-tetraphenylporphyrinate]

The crystal structures of acetato-[meso-tetra(p-chlorophenyl)porphyrinato]thallium(III) Tl[(p-Cl)4tpp](OAc) (1), acetato-[mesotetra(p-chlorophenyl)porphyrinato]indium(III) In[(p-Cl)4tpp](OAc) (2) and acetato-[meso-tetra(p-bromophenyl)porphyrinato]indium(III) In[(p-Br)4tpp](OAc) (3) were determined. The coordination sphere around the Tl3+ ion in 1 is described as six-coordinate distorted square-based pyramid in which the apical site is occupied by a chelating bidentate OAc- group, whereas for the In3+ ion in 2 and 3, it is a five-coordinate regular square-based pyramid in which the unidentate OAc- ligand occupies the axial site. The plane of the four pyrrole nitrogen atoms [i.e. N(1)-N(4)] strongly bonded to Tl3+ (or In3+) is adopted as a reference plane 4N. The Tl3+ is moderately out of the 4N plane; its displacement of 0.69 ? is in the same direction as that of the acetate oxygen for 1. The In3+ are located at 0.57 ? from its 4N plane for 2 and 3. The free energy of activation at the coalescence temperature Tc for the intermolecular acetate exchange for 1 in CD2Cl2 is found to be ΔG200≠ = 42.54 kJ mol-1 whereas the intermolecular OAc- exchange for acetato-[meso-tetra(p-bromophenyl)porphyrinato]thallium(III) Tl[(p-Br)4tpp](OAc) (4) in CD2Cl2 is determined to be ΔG200≠ = 42.46 kJ mol-1 through 1H NMR temperature-dependent measurements. Moreover, the two oxygen atoms of the acetato group for 2 and 3 are asymmetrically and chelating bidentately bound to the indium atom in CD2Cl2 (or CDCl3) solvent.