Stereospecific Ligands and Their Complexes. III. Oxalato and Malonato-(ethylenediamine-N,N′-di-S,S-2-propionato)-Chromate(III) Complexes. Crystal Structure of the Δ-(–)589-s-cis-K[Cr(S,S-eddp)(ox)] · 0.5H2O

Glodjović, Verica V.; Heinemann, Frank W.; Trifunović, Srećko R.

doi:10.1007/s10870-008-9400-4

Cited by 8 publications

(5 citation statements)

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“…Relevant structural parameters are the C=O and CO-C bond lengths on the ester group. They are somewhat shorter than those previously reported for the ethyl esters of some Salanine and glycine derivatives, whereas the O2-C2 bond (the C-O bond of the butoxy group) is almost the same as the one of the mentioned derivatives [2,3,4,5,6].…”

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Crystal structure of butyl and propylN-(3-chloropropyl)-(2S)-alaninate

et al. 2010

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The molecular spin-crossover, SCO, phenomenon, involving thermo-, photo-and piezo-chromic properties of a class of transition-metal complexes (3d 4 -3d 7 ), is one of growing importance in the area of functional materials, especially for application as molecular switches and in the field of information storage. These complexes are known to display a molecular bistability of high-spin (HS) and low-spin (LS) electronic configurations, which are distinguished by different occupation of antibonding e g and bonding t 2g d orbitals of the central metal ion. The course to the design of materials with adequate properties for industrial applications goes through the control of the physical -especially magnetic, optical and structural -properties modifications induced by the spin crossover. In order to better understand the phase transition mechanism of very gradual complete thermal spin transition, we have collected a series of complete diffraction patterns by single crystal X-ray diffraction versus the temperature. Thanks to these investigations, we were able to follow not only the evolution of cell parameters but also every Fe-N 6 octahedron geometric parameters as a function of the temperature every 5K. The accurate monitoring of inter-atomic distances such as the Fe…N distances and angles have well pointed out the anisotropic behavior of these parameters during the transition. Moreover, this study has revealed the physical mechanism of the propagation of the spin crossover along the material during the transition. Surprisingly for a gradual spin crossover, this mechanism appears different in nature in the cooling and in the warming modes.

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“…That helix is formed by parallel molecules, along ac plane. Compound 2 crystallizes in the space group P2 1 with a s254 = 5.4456(3), b = 10.0655(5), c = 12.2423(8) Å, β = 96.997 (6) and Z = 2. The molecular structure shows also helix type propagation along b axis.…”

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Crystal structure of butyl and propylN-(3-chloropropyl)-(2S)-alaninate

et al. 2010

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“…[centroid-centroid distance = 3.796 2 Ohrstrom et al, 2000), [Cr(S,S-eddp)(ox)] À (S,S-eddp is the S,S-ethylenediamine-N,N 0 -di-2-propionate ion; 6.721 Å ; Glodjivic et al, 2008) and K(H 2 O)Cr(C 2 O 4 ) 2 (bpym) (bpym is 2,2 0 -bipyrimidine; 6.974 Å ; Bé ré zosky et al, 1999). Such a small distance is also favoured by N2Á Á ÁO1 and N2Á Á ÁO2 hydrogen bonds, andstacking interactions, which make up together the two [Cr(ox) 2 (amp)] À anionic units (Fig.…”

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A new heteroleptic oxalate-based compound: poly[[2-(aminomethyl)pyridine]di-μ₆-oxalato-chromium(III)potassium(I)]

Tsobnang

Wenger

Ponou

et al. 2013

Acta Crystallogr C Struct Chem

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The title compound, [KCr(C2O2)2(C6H8N2)]n, was obtained from aqueous solution and analyzed with single-crystal X-ray diffraction at 100 K. It crystallizes in the monoclinic space group C2/c and displays a three-dimensional polymeric architecture built up by bimetallic oxalate-bridged Cr(III)-K helical chains linked through centrosymmetric K2O2 units to yield a sheet-like alternating P/M arrangement which looks like that of the previously described two-dimensional [NaCr(ox)2(pyim)(H2O)]·2H2O [pyim is 2-(pyridin-2-yl)imidazole; Lei et al. (2006). Inorg. Chem. Commun. 9, 486-488]. The Cr(III) ions in each helix have the same chirality. The infinite neutral sheets are eclipsed with respect to each other and are held together by a hydrogen-bonding network involving 2-(aminomethyl)pyridine H atoms and oxalate O atoms. Each sheet gives rise to channels of Cr4K4 octanuclear rings and each resultant hole is occupied by a pair of 2-(aminomethyl)pyridine ligands with partial overlap. The shortest Cr...Cr distance [5.593 (4) Å] is shorter than usually observed in the K-M(III)-oxalate family.

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“…VO 2+ or vanadyl) and Cr(III), with AA limited to alanine, proline and methionine. 9,10 Only one nickel(II) complex of an AA(ET)AA-like ligand such as C 2 -symmetrical ligand H 2 baboc [H 2 baboc stands for (all-R)-1,2bis(2-aza-3-carboxybicyclo[3.3.0]octan-2-yl)ethane] has been synthesized and its structure elucidated by X-ray analysis. 11 Weyh's proposal for αor β-cis isomer distribution has been better described by introducing a new nomenclature adopted for this system.…”

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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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Stereospecific Ligands and Their Complexes. III. Oxalato and Malonato-(ethylenediamine-N,N′-di-S,S-2-propionato)-Chromate(III) Complexes. Crystal Structure of the Δ-(–)589-s-cis-K[Cr(S,S-eddp)(ox)] · 0.5H2O

Cited by 8 publications

References 32 publications

Crystal structure of butyl and propylN-(3-chloropropyl)-(2S)-alaninate

Crystal structure of butyl and propylN-(3-chloropropyl)-(2S)-alaninate

A new heteroleptic oxalate-based compound: poly[[2-(aminomethyl)pyridine]di-μ₆-oxalato-chromium(III)potassium(I)]

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

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Stereospecific Ligands and Their Complexes. III. Oxalato and Malonato-(ethylenediamine-N,N′-di-S,S-2-propionato)-Chromate(III) Complexes. Crystal Structure of the Δ-(–)589-s-cis-K[Cr(S,S-eddp)(ox)] · 0.5H2O

Cited by 8 publications

References 32 publications

Crystal structure of butyl and propylN-(3-chloropropyl)-(2S)-alaninate

Crystal structure of butyl and propylN-(3-chloropropyl)-(2S)-alaninate

A new heteroleptic oxalate-based compound: poly[[2-(aminomethyl)pyridine]di-μ6-oxalato-chromium(III)potassium(I)]

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

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A new heteroleptic oxalate-based compound: poly[[2-(aminomethyl)pyridine]di-μ₆-oxalato-chromium(III)potassium(I)]