Abstract
1H nuclear magnetic resonance (NMR) measurements are reported for the D 2O solutions of [Ln 3+(EDTA 4-)] - complexes, where EDTA 4- is ethylenediaminetetraacetate anion, Ln 3+ = Tb 3+ (I), Ho 3+ (II), Tm 3+ (III), Yb 3+ (IV) and Lu 3+ (V). Temperature dependencies of the 1H NMR spectra of paramagnetic I-IV have been analyzed using the dynamic NMR methods. It is found that the activation free energies (ΔG ∥ 298) of the intermolecular EDTA ions exchange at [Ln 3+(EDTA 4-)] - complexes are 60±3 (I), 66±3 (II), 69±3 (III) and 74±3 (IV) kJ/mol (at pD = 7). A monotonic increase of the free energy of chemical exchange processes along the series of lanthanide [Ln 3+ (EDTA 4-)] - complexes is probably related to the lanthanide contraction. The obtained results indicate that coordination compounds I-IV may be considered as thermometric NMR sensors and lanthanide paramagnetic probes for in situ temperature control in solution.
| Original language | English |
|---|---|
| Pages (from-to) | 793-797 |
| Number of pages | 5 |
| Journal | Magnetic Resonance in Chemistry |
| Volume | 50 |
| Issue number | 12 |
| DOIs | |
| Publication status | Published - Dec 2012 |
| Externally published | Yes |
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Keywords
- aqueous solutions
- dynamic NMR
- EDTA
- ethylenediaminetetraacetic acid
- free energy of activation
- kinetics of chemical exchange
- lanthanide complexes
- lanthanide-induced shifts in NMR spectra
- molecular dynamics
- two-site exchange
ASJC Scopus subject areas
- Chemistry(all)
- Materials Science(all)
Cite this
Intermolecular dynamics and paramagnetic properties of ethylenediaminetetraacetate complexes with the yttrium subgroup rare earth elements using nuclear magnetic resonance. / Babailov, Sergey P.
In: Magnetic Resonance in Chemistry, Vol. 50, No. 12, 12.2012, p. 793-797.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Intermolecular dynamics and paramagnetic properties of ethylenediaminetetraacetate complexes with the yttrium subgroup rare earth elements using nuclear magnetic resonance
AU - Babailov, Sergey P.
PY - 2012/12
Y1 - 2012/12
N2 - 1H nuclear magnetic resonance (NMR) measurements are reported for the D 2O solutions of [Ln 3+(EDTA 4-)] - complexes, where EDTA 4- is ethylenediaminetetraacetate anion, Ln 3+ = Tb 3+ (I), Ho 3+ (II), Tm 3+ (III), Yb 3+ (IV) and Lu 3+ (V). Temperature dependencies of the 1H NMR spectra of paramagnetic I-IV have been analyzed using the dynamic NMR methods. It is found that the activation free energies (ΔG ∥ 298) of the intermolecular EDTA ions exchange at [Ln 3+(EDTA 4-)] - complexes are 60±3 (I), 66±3 (II), 69±3 (III) and 74±3 (IV) kJ/mol (at pD = 7). A monotonic increase of the free energy of chemical exchange processes along the series of lanthanide [Ln 3+ (EDTA 4-)] - complexes is probably related to the lanthanide contraction. The obtained results indicate that coordination compounds I-IV may be considered as thermometric NMR sensors and lanthanide paramagnetic probes for in situ temperature control in solution.
AB - 1H nuclear magnetic resonance (NMR) measurements are reported for the D 2O solutions of [Ln 3+(EDTA 4-)] - complexes, where EDTA 4- is ethylenediaminetetraacetate anion, Ln 3+ = Tb 3+ (I), Ho 3+ (II), Tm 3+ (III), Yb 3+ (IV) and Lu 3+ (V). Temperature dependencies of the 1H NMR spectra of paramagnetic I-IV have been analyzed using the dynamic NMR methods. It is found that the activation free energies (ΔG ∥ 298) of the intermolecular EDTA ions exchange at [Ln 3+(EDTA 4-)] - complexes are 60±3 (I), 66±3 (II), 69±3 (III) and 74±3 (IV) kJ/mol (at pD = 7). A monotonic increase of the free energy of chemical exchange processes along the series of lanthanide [Ln 3+ (EDTA 4-)] - complexes is probably related to the lanthanide contraction. The obtained results indicate that coordination compounds I-IV may be considered as thermometric NMR sensors and lanthanide paramagnetic probes for in situ temperature control in solution.
KW - aqueous solutions
KW - dynamic NMR
KW - EDTA
KW - ethylenediaminetetraacetic acid
KW - free energy of activation
KW - kinetics of chemical exchange
KW - lanthanide complexes
KW - lanthanide-induced shifts in NMR spectra
KW - molecular dynamics
KW - two-site exchange
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U2 - 10.1002/mrc.3884
DO - 10.1002/mrc.3884
M3 - Article
VL - 50
SP - 793
EP - 797
JO - Magnetic Resonance in Chemistry
JF - Magnetic Resonance in Chemistry
SN - 0749-1581
IS - 12
ER -