Structure of the solvated yttrium(III) ion in the oxygen donor solvents dimethyl sulfoxide, N,N-dimethylformamide and N,N′-dimethylpropyleneurea and crystal structures of [Y(OSMe2)8]I3 and [Y(OCN2Me2(CH2)3)6]I3

Vibrational spectroscopic force field studies of dimethyl sulfoxide and hexakis(dimethyl sulfoxide)scandium(iii) iodide, and crystal and solution structure of the hexakis(dimethyl sulfoxide)scandium(iii) ion

“…The slightly larger decrease of the C-H/D stretching force constant for dimethyl sulfoxide than for acetone is consistent with other criteria, e.g. 17 O NMR chemical shifts, showing the interactions to be weaker for acetone. 7a, 8 Other, more noticeable changes take place for the S-O stretching vibrational mode, which has a more complex character.…”

“…15 In the current study normal coordinate analyses of the dimethyl sulfoxide molecule itself and of the hexasolvated Group 3 ion scandium(III) are performed and compared with our previous studies of the hexakis(dimethyl sulfoxide) solvates of the Group 13 ions, aluminium(III), gallium(III), indium(III) and thallium(III). 15, 16 The large Group 3 ions yttrium(III) and lanthanum(III) coordinate eight dimethyl sulfoxide molecules in the solid state and in solution, 17,18 as do also all the lanthanide(III) ions. A combined EXAFS, crystallographic and vibrational study of the solvated lanthanide(III) ions will be reported separately.…”

Improved radiolabeling of DOTATOC with trivalent radiometals for clinical application by addition of ethanol

“…Metal-based radiopharmaceuticals are typically synthesized in aqueous solutions, where the metal ions are surrounded by strong hydration spheres. Highly charged metal ions such as Ga 3+ , Sc 3+ and Ln 3+ have well-defined first and second hydration shells (Lindqvist-Reis 2000 ). In part and among other factors, it is the power of these hydration shells, which prevents a more direct interaction of the metal cation with the donor atom of the ligand structures.…”

Solution X-ray Absorption Fine Structure Study of the Eu2+and Sr2+Ions: Unexpected Solvent and Metal Ion Dependencies of the Solvation Numbers

“…In solvents such as DMSO, the contribution of the second shell of scatterers is not negligible and can be used to extract information about the configuration of the coordinated ligands . Among these contributions, it has been shown that only the contributions of the M···S single scattering (SS) and of the M−O−S multiple scattering (MS) pathways are significant. ,− The FT of the experimental XAFS spectrum of the Sr 2+ ion in the DMSO solution (Figure ) presents a first peak at 2.530(7) Å and a second peak at 3.73(2) Å corresponding to the DMSO sulfur atom (3.647(3) Å in the Sr(DMSO) 2 (O 3 SCF 3 ) 2 crystalline compound). Assuming a S−O bond distance of 1.529 Å in the coordinated DMSO, we obtained a mean Sr−O−S angle of 132(2)° in DMSO solution, typical for a hard acceptor, close to the one observed in the Sr(DMSO) 2 (O 3 SCF 3 ) 2 crystalline compound [133.6(2)°] and identical to the one observed for Y 3+ in DMSO solution .…”

“…Among these contributions, it has been shown that only the contributions of the M···S single scattering (SS) and of the M−O−S multiple scattering (MS) pathways are significant. ,− The FT of the experimental XAFS spectrum of the Sr 2+ ion in the DMSO solution (Figure ) presents a first peak at 2.530(7) Å and a second peak at 3.73(2) Å corresponding to the DMSO sulfur atom (3.647(3) Å in the Sr(DMSO) 2 (O 3 SCF 3 ) 2 crystalline compound). Assuming a S−O bond distance of 1.529 Å in the coordinated DMSO, we obtained a mean Sr−O−S angle of 132(2)° in DMSO solution, typical for a hard acceptor, close to the one observed in the Sr(DMSO) 2 (O 3 SCF 3 ) 2 crystalline compound [133.6(2)°] and identical to the one observed for Y 3+ in DMSO solution . Note that the XAFS spectrum corresponding to the Eu 2+ ion in DMSO solution has not been reported in this study because of the extreme absorption of the solvent in this energy region, preventing us from obtaining any XAFS signal in transmission mode.…”