Complexation of Cm(III) with fluoride in aqueous solution in the temperature range from 20 to 90 °C: a joint TRLFS and quantum chemical study
The formation of hydrated CmF2+ and CmF2+ species in aqueous solutions are studied in the temperature range of 20−90 °C at different fluoride concentrations and at constant ionic strength as well as at constant fluoride concentration and different ionic strengths by means of time-resolved laser fluo...
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| Hauptverfasser: | , , , , , , , |
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| Dokumenttyp: | Article (Journal) |
| Sprache: | Englisch |
| Veröffentlicht: |
September 29, 2010
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| In: |
The journal of physical chemistry. B, Biophysics, biomaterials, liquids, and soft matter
Year: 2010, Jahrgang: 114, Heft: 47, Pages: 15626-15634 |
| ISSN: | 1520-5207 |
| DOI: | 10.1021/jp107794u |
| Online-Zugang: | Verlag, lizenzpflichtig, Volltext: https://doi.org/10.1021/jp107794u
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| Verfasserangaben: | Andrej Skerencak, Petra J. Panak, Volker Neck, Michael Trumm, Bernd Schimmelpfennig, Patric Lindqvist-Reis, Reinhardt Klenze, and Thomas Fanghänel |
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| 245 | 1 | 0 | |a Complexation of Cm(III) with fluoride in aqueous solution in the temperature range from 20 to 90 °C |b a joint TRLFS and quantum chemical study |c Andrej Skerencak, Petra J. Panak, Volker Neck, Michael Trumm, Bernd Schimmelpfennig, Patric Lindqvist-Reis, Reinhardt Klenze, and Thomas Fanghänel |
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| 520 | |a The formation of hydrated CmF2+ and CmF2+ species in aqueous solutions are studied in the temperature range of 20−90 °C at different fluoride concentrations and at constant ionic strength as well as at constant fluoride concentration and different ionic strengths by means of time-resolved laser fluorescence spectroscopy (TRLFS). The molar fractions of the Cm3+ aqua ion, CmF2+, and CmF2+ species are determined by peak deconvolution of the emission spectra. An increase of the mono- and difluoro complexes is observed with increasing fluoride concentration and/or increasing temperature. Using the specific ion interaction theory (SIT), the thermodynamic stability constants log K10 (CmF2+) and log K20 (CmF2+) as well as the values of Δε1 and Δε2 are determined as a function of temperature. The log K10 values increase from 3.56 ± 0.07 to 3.98 ± 0.06 and the log K20 values increase from 2.20 ± 0.84 to 3.34 ± 0.21 with increasing temperature from 20 to 90 °C. The value of Δε1 determined at 25 °C is in good agreement with literature data and shows a negligible temperature dependency in the studied temperature range. The value of Δε2 also shows only a moderate variation in the studied temperature range. The thermodynamic standard state data (ΔrHm0, ΔrSm0, ΔrGm0) are determined from the temperature dependence of the equilibrium constants at Im = 0 using the integrated Van’t Hoff equation. The fluorescence lifetime of the 6D′7/2(Cm3+) state is found to be constant at 63 ± 5 μs with increasing fluoride concentration. A model based on density functional theory (DFT) calculations is introduced to account for the additional quenching occurring through the near second sphere waters in the [Cm(H2O)8F]2+(H2O)18 complex. | ||
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| 700 | 1 | |a Neck, Volker |e VerfasserIn |4 aut | |
| 700 | 1 | |a Trumm, Michael |e VerfasserIn |0 (DE-588)1019604360 |0 (DE-627)690963998 |0 (DE-576)358417589 |4 aut | |
| 700 | 1 | |a Schimmelpfennig, Bernd |e VerfasserIn |4 aut | |
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