The application of tiron in photometric titrations

Boef, G. den; Ozinga, W.; Rossum, G.J. Van

doi:10.1016/s0003-2670(01)93514-7

Cited by 5 publications

(2 citation statements)

References 4 publications

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“…Zero-field splitting (ZFS) parameters were computed with N-electron valence perturbation theory to second order (SC-NEVPT2) 31,32 on the top of complete active space self-consisted field (CASSCF) 33−35 calculations with the Def2-TZVPP basis set. The active space consisted of five electrons distributed in the five metal-based 3dorbitals [CAS (5,5)], with the state-average CASSCF calculation incorporating one sextet, 24 quartet, and 75 doublet roots. All calculations were performed with the aid of the resolution of identity (RI) approximation for both Coulomb and exchange (RI-JK) using the Def2/JK auxiliary basis set.…”

Section: Complexation Of Iron(iii)mentioning

confidence: 99%

“…In the chemical field, Tiron is known for analytical applications, primarily as a chelating agent used in the determination of trace metals. For example, Tiron is used as a colorimetric reagent of various metal ions, among which are Fe 3+ , Al 3+ , and Ti 4+ , for the sequestration of Pb 2+ , spectrofluorimetric determination of Cu 2+ , and spectrophotometric detection of Th 4+ and Bi 3+ . − More recently, it has been proposed for uses in electrochemistry concerning the preparation of redox flow batteries or modified glass electrodes. , …”

Section: Introductionmentioning

confidence: 99%

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Characterization of the Fe(III)-Tiron System in Solution through an Integrated Approach Combining NMR Relaxometric, Thermodynamic, Kinetic, and Computational Data

et al. 2023

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The Fe(III)-Tiron system (Tiron = 4,5-dihydroxy-1,3-benzenedisulfonate) was investigated using a combination of 1 H and 17 O NMR relaxometric studies at variable field and temperature and theoretical calculations at the DFT and NEVPT2 levels. These studies require a detailed knowledge of the speciation in aqueous solution at different pH values. This was achieved using potentiometric and spectrophotometric titrations, which afforded the thermodynamic equilibrium constants characterizing the Fe(III)-Tiron system. A careful control of the pH of the solution and the metal-to-ligand stoichiometric ratio allowed the relaxometric characterization of [Fe(Tiron) 3 ] 9− , [Fe(Tiron) 2 (H 2 O) 2 ] 5− , and [Fe(Tiron)(H 2 O) 4 ] − complexes. The 1 H nuclear magnetic relaxation dispersion (NMRD) profiles of [Fe(Tiron) 3 ] 9− and [Fe(Tiron) 2 (H 2 O) 2 ] 5− complexes evidence a significant second-sphere contribution to relaxivity. A complementary 17 O NMR study provided access to the exchange rates of the coordinated water molecules in [Fe(Tiron) 2 (H 2 O) 2 ] 5− and [Fe(Tiron)(H 2 O) 4 ] − complexes. Analyses of the NMRD profiles and NEVPT2 calculations indicate that electronic relaxation is significantly affected by the geometry of the Fe 3+ coordination environment. Dissociation kinetic studies indicated that the [Fe(Tiron) 3 ] 9− complex is relatively inert due to the slow release of one of the Tiron ligands, while the [Fe(Tiron) 2 (H 2 O) 2 ] 5− complex is considerably more labile.

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