A spectroscopic and ab initio study on Bi(III) complex formation with 3-mercaptopropanesulfonic acid

Complexation of Bi(iii) with 3-mercaptopropionic acid in aqueous solutions: a combined experimental and theoretical study

“…It may be associated with specic contributions of solvation effects in total Gibbs energies. The similar pattern has been reported previously 56 for Bi(III)-2-mercaptopropanesulfonic acid (H 2 MPS). Further investigations on biological activity seem to be curious and valuable.…”

“…The combination of EXAFS and DFT data (Table 5) on Bi(HMPA) 2 + , Bi(HMPA) 3 structure provided quite consistent Bi-S bond distances matching with previously reported Bi-S distances for bismuth-thiolate complexes in aqueous solutions -2.5-2.6 Å. 55,56 On the contrary, the Bi-O bond distances rather mismatched. The similar deference in experimental and calculated Bi-O bond distances was observed in.…”

“…The similar deference in experimental and calculated Bi-O bond distances was observed in. 56 Discrepancy between Bi-O bond distances from EXAFS (2.70) and DFT calculations (2.94) for tris complex species can be explained in assumption of contribution of bi-ligand complex species (2.43 from DFT). Theoretical methods have been widely applied to interpret experimental spectroscopic data.…”

3-Mercapto-1-Propanesulfonate for Cu Electrodeposition Studied by in Situ Shell-Isolated Nanoparticle-Enhanced Raman Spectroscopy, Density Functional Theory Calculations, and Cyclic Voltammetry

“…In Figure A, spectra obtained in the presence of MPS exhibit several new bands associated with the additive. There have been few previous analyses that studied the MPS vibrational modes in detail. , To make appropriate peak assignments, we relied on these as well as vibrational studies of alkylsulfonates, − alkylthiols, ,,,,− pentane, and the MPS dimer SPS. ,, …”

Structural characteristics of amorphous K-Bi citrate (De-Nol) and its aqueous solutions from EXAFS spectra

“…This method is practically the only one that enables the direct determination of parameters of the local atomic environment: interatomic distances, partial coordination numbers of atoms in the environment, environment symmetry, Debye-Waller factors in structures without the long-range order (solutions, amorphous compounds, nanoclusters) [13,14]. The promising application of EXAFS spectroscopy for the investigation of the structure of Bi complexes in solutions has been demonstrated in [15], and recently by authors of this work [16][17][18]. Authors [19] have published the results of a successful use of this method for the study of polynuclear Bi complexes in solution.…”