Cadmium-113 nuclear magnetic resonance studies of cadmium-ethylenediaminetetraacetic acid complexes

Jensen, Claus F.; Deshmukh, Sudha; Jakobsen, Hans J.; Inners, Ruth R.; Ellis, Paul D.

doi:10.1021/ja00403a009

Cited by 37 publications

(23 citation statements)

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“…Molecular Structure of Cd − CyDTA·OH 3 - . At high pHs, hydroxyl ion penetrates the inner coordination sphere of Cd−EDTA . This result suggested a third calculation (Figure ) in which the water of hydration is replaced by OH - .…”

Section: Resultsmentioning

confidence: 92%

“…The monohydrate and OH - liganded versions of Cd−CyDTA will be discussed in this report. Proposed structures and relaxation properties of the cadmium complexes of both CyDTA and its simpler precursor, EDTA, have been reported. − CyDTA and EDTA act as strong complexing agents of metal ions; however, this study indicates that cadmium−CyDTA complexes are stronger and more rigid than cadmium−EDTA complexes.…”

Section: Introductionmentioning

confidence: 78%

“…This result suggested a third calculation (Figure ) in which the water of hydration is replaced by OH - . Unlike the Cd−EDTA complex, where high pHs produce structural changes in the Cd complex, the addition of a OH - to Cd−CyDTA results in only minor changes to the basic structure of the cadmium complex. The cadmium−oxygen bond lengths are 2.595 (Cd−O(7)), 2.371 (Cd−O(3)), 2.408 (Cd−O(2)), and 2.432 (Cd−O(4)) Å.…”

Section: Resultsmentioning

confidence: 98%

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Direct Determination of NMR Correlation Times: Analysis of the Cd−CyDTA Complex by the Relaxation Rate Ratio Method

et al. 1998

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The relaxation rate ratio method (RRR) has been used to calculate molecular correlation times, τc, from the 13C and 113Cd relaxation rates of cadmium−cyclohexanediamine tetraacetate (CyDTA). The ratio of spin−spin (R 2) relaxation rates to spin−lattice (R 1) relaxation rates (R 2/R 1) is used to determine the relative motion of specific nuclei within the Cd−CyDTA complex. Formation of the Cd−CyDTA complex results in an increase in the measured NMR rotational correlation times compared with the values obtained for the CyDTA ligand alone. 13C chemical shifts, evidence of 113Cd−14N coupling and NMR rotational correlation times provide information concerning the geometry of the Cd−CyDTA complex. The NMR experimental results correlate with anhydrous, hydrated, and hydroxylated ab initio structures of the Cd−CyDTA complex.

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Section: Resultsmentioning

confidence: 92%

Section: Introductionmentioning

confidence: 78%

Section: Resultsmentioning

confidence: 98%

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Direct Determination of NMR Correlation Times: Analysis of the Cd−CyDTA Complex by the Relaxation Rate Ratio Method

et al. 1998

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“…The '13cd NMR chemical shift is highly sensitive to the types of donor atoms, coordination number, and geometry (17)(18)(19)(20)(21)(22). The results of the '13cd NMR study with model carboxylate ligands (monomers and polymers) show that when the coordination environment of the cadmium ion is made up solely of carboxylates and water molecules, then the chemical shifts seem to appear at a more upfield region (more shielding) than for Cd(I1)-fulvate.…”

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confidence: 99%

Probe of cadmium(II) binding on soil fulvic acid investigated by¹¹³Cd NMR spectroscopy

Chung¹,

Rhee²,

Shin³

et al. 1996

Can. J. Chem.

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Binding of cadmium(I1) on soil fulvic acid (FA) was investigated over a range of fulvate-to-cadmium concentration ratios (8 -59 equiv. mol-l) using 'I3cd NMR spectroscopy. The 'I3cd chemical shift of cadmium bound on fulvate was observed in a more downfield region (6 -20.4 to -15.6) than that bound on synthetic polymers, poly(acrylic acid) (PAA: 6 -36.6 to -38.2), poly(methacrylic acid) (PMAA: 6 -34.0 to -25.4), and poly(viny1 benzoic acid)

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“…The four-coordinate Cd moieties containing 4S, 2S-20, 2S-2N and 2S-N-O combinations of donor ligands to Cd 2+ are particularly interesting as models for metal sites in various enzymes in which Cd is used as a probe of Zn 2÷ enzymatic or structural locei (Otvos & Armitage, 1979;Sadler, Bakka & Beynon, 1978;Bobsein & Myers, 1981, Jensen, Deshmukh, Jakobsen, Inners & Ellis, 1981Linse, Gustavsson, Lindman & Drakenberg, 1981;Briggs & Armitage, 1982). The titled compound is a precursor to compounds which are models for these enzymatic sites.…”

mentioning

confidence: 99%

A tetrahedral CdS2O2 stereochemistry: the structure of (dinitrato-O)bis(1,1,3,3-tetramethyl-2-thiourea-S)cadmium(II), Cd(C5H12N2S)2(NO3)2, and its 113Cd NMR spectra

Griffith¹,

Charles²,

Rodesiler³

et al. 1983

Acta Crystallogr C Cryst Struct Commun

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Abstract. C IoH24CdN60652, Mr= 500.9, monoclinic, P2Jc, a= 12.507 (4), b= 7.270 (4),c= 21.67 (1),~,, fl=95.42(4) ° , V=1961/~a, Z=4, D x=1.696, D m = 1.68 (1) g cm -3, Mo K~ 2 = 0.71073 ./k, g=13.51cm -I, F(000)=1016, T~291K, R= 0.054, R w--0.060 for 2897 observations. Compound synthesized by authors. The structure consists of isolated ion triplets from an approximately tetrahedral environment about Cd with Cd-S distances of 2.498 (2) ,/~ and Cd-O distances of 2.295 (4)/~. These species are separated from their neighbors by ordinary van der Waals distances. The solid-state magic-angle spinning ~3Cd NMR of this compound was observed at +263 p.p.m, deshielded from the aqueous Cd(C104) 2 standard.

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Cadmium-113 nuclear magnetic resonance studies of cadmium-ethylenediaminetetraacetic acid complexes

Cited by 37 publications

References 0 publications

Direct Determination of NMR Correlation Times: Analysis of the Cd−CyDTA Complex by the Relaxation Rate Ratio Method

Direct Determination of NMR Correlation Times: Analysis of the Cd−CyDTA Complex by the Relaxation Rate Ratio Method

Probe of cadmium(II) binding on soil fulvic acid investigated by¹¹³Cd NMR spectroscopy

A tetrahedral CdS2O2 stereochemistry: the structure of (dinitrato-O)bis(1,1,3,3-tetramethyl-2-thiourea-S)cadmium(II), Cd(C5H12N2S)2(NO3)2, and its 113Cd NMR spectra

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Cadmium-113 nuclear magnetic resonance studies of cadmium-ethylenediaminetetraacetic acid complexes

Cited by 37 publications

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Direct Determination of NMR Correlation Times: Analysis of the Cd−CyDTA Complex by the Relaxation Rate Ratio Method

Direct Determination of NMR Correlation Times: Analysis of the Cd−CyDTA Complex by the Relaxation Rate Ratio Method

Probe of cadmium(II) binding on soil fulvic acid investigated by113Cd NMR spectroscopy

A tetrahedral CdS2O2 stereochemistry: the structure of (dinitrato-O)bis(1,1,3,3-tetramethyl-2-thiourea-S)cadmium(II), Cd(C5H12N2S)2(NO3)2, and its 113Cd NMR spectra

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Probe of cadmium(II) binding on soil fulvic acid investigated by¹¹³Cd NMR spectroscopy