Intermolecular dynamics and paramagnetic properties of ethylenediaminetetraacetate complexes with the yttrium subgroup rare earth elements using nuclear magnetic resonance

Sergey P. Babailov

Research output: Contribution to journalArticle

8 Citations (Scopus)

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 languageEnglish
Pages (from-to)793-797
Number of pages5
JournalMagnetic Resonance in Chemistry
Volume50
Issue number12
DOIs
Publication statusPublished - Dec 2012
Externally publishedYes

Fingerprint

Yttrium
Ethylenediaminetetraacetic acid
Rare earth elements
Edetic Acid
Lanthanoid Series Elements
Nuclear magnetic resonance
Free energy
Magnetic resonance measurement
Temperature control
Anions
Ion exchange
Negative ions
Chemical activation
Sensors

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

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title = "Intermolecular dynamics and paramagnetic properties of ethylenediaminetetraacetate complexes with the yttrium subgroup rare earth elements using nuclear magnetic resonance",
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.",
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",
author = "Babailov, {Sergey P.}",
year = "2012",
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doi = "10.1002/mrc.3884",
language = "English",
volume = "50",
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journal = "Magnetic Resonance in Chemistry",
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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

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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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