Deuteron nuclear magnetic resonance study of chromium [Cr(edda)(X)2]n complexes (X2 = two monodentates or a bidentate; edda = ethylenediamine-N,N'-diacetato) and complete assignment of the deuteron NMR spectrum of (1,2-propylenediamine-N,N,N',N'-tetraacetato)chromate [Cr(1,2-pdta-.alpha.-d8]-

Bianchini, R. J.; Legg, J. Ivan

doi:10.1021/ic00238a033

Cited by 10 publications

(10 citation statements)

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“…Fujii et al [4] reported the formula as [Cr(edda)(acac)]·2H 2 O on the basis of elemental analysis and thermogravimerty. Subsequent authors [3,5,21], who prepared the complex by Fujii's method, did not present any experimental confirmation of its composition, but mainly carried over its original [4] designation as dihydrate. However, as will be shown below, we were not able to confirm the presence of any molecules of lattice water in our sample.…”

Section: Synthesis and Physical Measurementsmentioning

confidence: 99%

“…The results (Table 5) show an isomer distribution consisting of approximately 95% s-cis and 5% u-cis form of [Cr(edda)(acac)]. Quantitative experimental data are not available, apart from the 2 H NMR study of Bianchini and Legg [3] on the u-cis to s-cis isomerization of the closely related [Cr(edda)(H 2 O) 2 ] + complex, in which an s-cis:u-cis ratio of 0.8:0.2 was reported. The case of u-cis isomer and VOFF…”

Section: Isomer Distributionmentioning

confidence: 99%

“…The complex (acetylacetonato)(ethylenediaminediacetato)chromium(III) has been prepared, its s-cis isomer isolated, and u-cis isomer identified in solution [3]. It was already known that the s-cis geometry of the chelating edda ligand is favoured in most Co(III) and Cr(III) complexes [2][3][4][5].…”

Section: Introductionmentioning

confidence: 99%

“…It was already known that the s-cis geometry of the chelating edda ligand is favoured in most Co(III) and Cr(III) complexes [2][3][4][5]. It was suggested that the observed strain of the diamine ring in edda may be a contributing factor in determining the configuration of the edda ligand [6].…”

Section: Introductionmentioning

confidence: 99%

“…Thus we should be very cautious in assigning the stereochemistry of a metal complex in the absence of single-crystal X-ray structural data. Furthermore, it is not easy to assign the geometry because the visible absorption maxima for the s-cis and u-cis isomers of [Cr(edda)(acac)] are very close to each other [3].…”

Section: Introductionmentioning

confidence: 99%

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Crystal structure and conformational analysis of s-cis-(acetylacetonato)(ethylenediamine-N,N′-diacetato)-chromium(III)

et al. 2011

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The crystal structure of [Cr(edda)(acac)] (edda = ethylediamine-N,N'-diacetate; acac = acetylacetonato) has been determined by a single crystal X-ray diffraction study at 150 K. The chromium ion is in a distorted octahedral environment coordinated by two N and two O atoms of chelating edda and two O atoms of acac, resulting in s-cis configuration. The complex crystallizes in the space group P2(1)/c of the monoclinic system in a cell of dimensions a = 10.2588(9), b = 15.801(3), c = 8.7015(11) Å, β =101.201(9)° and Z = 4. The mean Cr-N(edda), Cr-O(edda) and Cr-O(acac) bond distances are 2.0829(14), 1.9678(11) and 1.9477(11) Å while the angles O-Cr-O of edda and O-Cr-O of acac are 171.47(5) and 92.72(5)°, respectively. The crystal structure is stabilized by N-H···O hydrogen bonds linking [Cr(edda)(acac)] molecules in distinct linear strands. The visible electronic and IR spectroscopic properties are also discussed. An improved, physically more realistic force field, Vibrationally Optimized Force Field (VOFF), capable of reproducing structural and vibrational properties of [Cr(edda)(acac)] was developed and its transferability demonstrated on selected chromium(III) complexes with similar ligands.

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