Synthesis and characterization of hexadentate cobalt(III) complexes with novel edta-type ligands. 1. Circular dichroism of a cobalt(III) complex of ethylenediamine-N-acetic-N,N',N'-tri-3-propionic acid

Radanović, Dušan J.; Djuran, Miloš I.; Miletić, Vesna D.; Maricondi, Chris; Douglas, Bodie E.

doi:10.1021/ic00280a035

Cited by 18 publications

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“…Ethylenediamine-N-acetic-N,N′,N′-tri-3-propionic acid (H 4 eda3p) was prepared by a previously described procedure. 15 Ethylenediamine-N,N′-diacetic-N,N′-di-3-propionic acid (H 4 eddadp) was prepared by the method of Byers and Douglas. 23 Preparation of Barium (Ethylenediamine-N-acetato-N,N′,N′tri-3-propionato)cuprate(II) Octahydrate, Ba[Cu(eda3p)]•8H 2 O.…”

Section: ■ Experimental Detailsmentioning

confidence: 99%

“…9−14 Our interest in M II edta-type complexes is related to their stereochemistry and to the study of the factors determining coordination numbers (CNs) and structural types. edta-type chelates have been prepared via several methods: by condensation from neutralized αor β-monohalogencarboxylic acid and the corresponding diamine, 14,15 by condensation of acrylic acid and diamine (to obtain chelates with propionate arms), 16 and by condensation of dihalogen derivatives of diamine with diverse amino acids. 17 Structural variations of the edta-type framework involve increasing the size or rigidity of the chains or omitting one or more of the carboxylate arms.…”

Section: ■ Introductionmentioning

confidence: 99%

“…Over the past decade, our group has worked on the synthesis, structures, and biological/environmental activity of new edta derivatives and their metal complexes, particularly focusing on divalent metals such as copper(II) and nickel(II). − Our interest in M II edta-type complexes is related to their stereochemistry and to the study of the factors determining coordination numbers (CNs) and structural types. edta-type chelates have been prepared via several methods: by condensation from neutralized α- or β-monohalogencarboxylic acid and the corresponding diamine, , by condensation of acrylic acid and diamine (to obtain chelates with propionate arms), and by condensation of dihalogen derivatives of diamine with diverse amino acids…”

Section: Introductionmentioning

confidence: 99%

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Synthetic, Crystallographic, and Computational Study of Copper(II) Complexes of Ethylenediaminetetracarboxylate Ligands

et al. 2013

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Copper(II) complexes of hexadentate ethylenediaminetetracarboxylic acid type ligands H(4)eda3p and H(4)eddadp (H(4)eda3p = ethylenediamine-N-acetic-N,N',N'-tri-3-propionic acid; H(4)eddadp = ethylenediamine-N,N'-diacetic-N,N'-di-3-propionic acid) have been prepared. An octahedral trans(O(6)) geometry (two propionate ligands coordinated in axial positions) has been established crystallographically for the Ba[Cu(eda3p)]·8H(2)O compound, while Ba[Cu(eddadp)]·8H(2)O is proposed to adopt a trans(O(5)) geometry (two axial acetates) on the basis of density functional theory calculations and comparisons of IR and UV-vis spectral data. Experimental and computed structural data correlating similar copper(II) chelate complexes have been used to better understand the isomerism and departure from regular octahedral geometry within the series. The in-plane O-Cu-N chelate angles show the smallest deviation from the ideal octahedral value of 90°, and hence the lowest strain, for the eddadp complex with two equatorial β-propionate rings. A linear dependence between tetragonality and the number of five-membered rings has been established. A natural bonding orbital analysis of the series of complexes is also presented.

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Section: ■ Experimental Detailsmentioning

confidence: 99%

Section: ■ Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Synthetic, Crystallographic, and Computational Study of Copper(II) Complexes of Ethylenediaminetetracarboxylate Ligands

et al. 2013

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“…38 Ethylenediamine-Nacetic acid dihydrochloride dihydrate Hedma•2HCl•2H 2 O was prepared using a previously described procedure. 39 The other reagents were obtained commercially and used without further purification.…”

Section: Methodsmentioning

confidence: 99%

Nickel(ii) in chelate N2O2 environment. DFT approach and in-depth molecular orbital and configurational analysis

et al. 2013

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The O-N-N-O-type tetradentate ligands H2S,S-eddp (H2S,S-eddp stands for S,S-ethylenediamine-N,N'-di-2-propionic acid) and H2edap (H2edap stands for ethylenediamine-N-acetic-N'-3-propionic acid) and the corresponding novel octahedral nickel(II) complexes have been prepared and characterized. N2O2 ligands coordinate to the nickel(II) ion via four donor atoms (two deprotonated carboxylate atoms and two amine nitrogens) affording octahedral geometry in the case of all investigated Ni(II) complexes. A six coordinate, octahedral geometry has been verified crystallographically for the s-cis-[Ni(S,S-eddp)(H2O)2] complex. Structural data correlating similarly chelated Ni(II) complexes have been used to carry out an extensive configuration analysis. Molecular mechanics and Density Functional Theory (DFT) have been used to model the most stable geometric isomer, yielding, at the same time, significant structural and spectroscopic (TDDFT) data. The results from density functional studies have been compared to X-ray data. Natural Bond Orbital (NBO) and Natural Energetic Decomposition Analysis (NEDA) have been done for the [Ni(edda-type)(H2O)(2-n)] and nH2O fragments. Molecular orbital analysis (MPA) is given as well. The infra-red and electronic absorption spectra of the complexes are discussed in comparison to the related complexes of known geometries.

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“…The substitution of the acetic acid moieties with the propionic acid ones leads also to good and selective chelators (e.g. ethylenediamine-N,N 0 -diaceticacid, ethylenediamine-N,N 0 -dipropionicacid, ethylenediamine-N,N 0 ,N 0 -tripropionicacid) [5,6]. Other biodegradable EDTA-like compounds (e.g.…”

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confidence: 99%

A Michael-type reaction between acrylato ions and ethylenediamine coordinated to Ni(II). Synthesis, crystal structure and magnetic properties of [Ni2(EDDP)2(H2O)2] · 2H2O (H2EDDP = ethylenediamine-N,N-dipropionic acid)

Badea

Olar

Marinescu

et al. 2009

Inorganic Chemistry Communications

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Synthesis and characterization of hexadentate cobalt(III) complexes with novel edta-type ligands. 1. Circular dichroism of a cobalt(III) complex of ethylenediamine-N-acetic-N,N',N'-tri-3-propionic acid

Cited by 18 publications

References 0 publications

Synthetic, Crystallographic, and Computational Study of Copper(II) Complexes of Ethylenediaminetetracarboxylate Ligands

Synthetic, Crystallographic, and Computational Study of Copper(II) Complexes of Ethylenediaminetetracarboxylate Ligands

Nickel(ii) in chelate N2O2 environment. DFT approach and in-depth molecular orbital and configurational analysis

A Michael-type reaction between acrylato ions and ethylenediamine coordinated to Ni(II). Synthesis, crystal structure and magnetic properties of [Ni2(EDDP)2(H2O)2] · 2H2O (H2EDDP = ethylenediamine-N,N-dipropionic acid)

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