Aspects of the Stereochemistry of Four‐Coordination and Five‐Coordination

Favas, Mark C.; Kepert, David L.

doi:10.1002/9780470166284.ch5

Cited by 47 publications

(16 citation statements)

References 462 publications

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“…thiocyanate ions coordinating to the Zn II cation via their N atoms and an acetone thiosemicarbazone ligand coordinating via the N 1 and S atoms. Such an assembly of ligands leads to the formation of a slightly distorted tetrahedral geometry around the central Zn II atom (Favas & Kepert, 1980), with a sum of the interbond angles of 654 (Table 2), which is close to the ideal value of 657 for a regular polyhedron. Coordination salt (II) is composed of structurally different complex cations and anions.…”

Section: Resultsmentioning

confidence: 61%

“…Coordination salt (II) is composed of structurally different complex cations and anions. The anions are formed by four thiocyanate ions coordinating to the Zn II cation via their N atoms and forming an almost ideal tetrahedral geometry (Favas & Kepert, 1980), with a sum of the interbond angles of 657 (Table 3). The cations are formed by four urea molecules (bonded to the Zn II cation via their O atoms) and two water molecules arranged in the slightly distorted octahedral geometry (Kepert, 1977).…”

Section: Resultsmentioning

confidence: 99%

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New fluorescent compounds based on zinc thiocyanate: influence of structure on spectral properties

Świątkowski

Kruszyński

2017

Acta Crystallogr C

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New coordination compounds based on zinc thiocyanate, namely (acetone thiosemicarbazone-κN,S)bis(isothiocyanato-κN)zinc(II) monohydrate, [Zn(NCS)(CHNS)]·HO, (I), and diaquatetrakis(urea-κO)zinc(II) tetrakis(isothiocyanato-κN)zinc(II), [Zn(CHNO)(HO)][Zn(NCS)], (II), were synthesized and studied by UV-Vis, fluorescence and IR spectroscopy. Coordination salt (II) forms a rare system composed of two different coordination units of the same metal and it is the first example of a compound with two completely different zinc coordination units, of which one contains a tetrakis(urea)zinc unit. Both (I) and (II) possess fluorescence properties and produce blue and green emissions, respectively, upon irradiation with violet light. The spectral properties were correlated with the observed molecular and supramolecular structures. The acetone thiosemicarbazone ligand of (I) exhibits (upon coordination) red shifts of bands corresponding to N=C and C=S stretching vibration frequencies, which is not typical for chelating molecules.

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Section: Resultsmentioning

confidence: 61%

Section: Resultsmentioning

confidence: 99%

New fluorescent compounds based on zinc thiocyanate: influence of structure on spectral properties

Świątkowski

Kruszyński

2017

Acta Crystallogr C

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“…The asymmetric unit contains half of the coordination moiety due to an inversion center between the copper atoms (special position h of the P -1 space group). The coordination polyhedron adopts the geometry of a tetragonal pyramid [ 29 ], whose apex is occupied by a hmta nitrogen atom ( Figure 2 ). There is no asymmetricity of the coordination bonds formed by bridging dmp anions.…”

Section: Resultsmentioning

confidence: 99%

Copper(II) 2,2-Bis(Hydroxymethyl)Propionate Coordination Compounds with Hexamethylenetetramine: From Mononuclear Complex to One-Dimensional Coordination Polymer

Rauf

Trzęsowska-Kruszyńska

Sierański

et al. 2021

Molecules

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Three new copper coordination compounds derived from 2,2-bis(hydroxymethyl)propionic acid (dmpa) and hexamethylenetetramine (hmta) were obtained and their crystal structures were determined. The stoichiometry of the reagents applied in the syntheses reflects the metal to ligand molar ratio in the formed solid products. Due to the multiple coordination modes of the used ligands, wide structural diversity was achieved among synthesized compounds, i.e., mononuclear [Cu(dmp)2(hmta)2(H2O)] (1), dinuclear [Cu2(dmp)4(hmta)2] (2), and 1D coordination polymer [Cu2(dmp)4(hmta)]n (3). Their supramolecular structures are governed by O—H•••O and O—H•••N hydrogen bonds. The compounds were characterized in terms of absorption (UV-Vis and IR) and thermal properties. The relationships between structural features and properties were discussed in detail. Owing to discrepancies in the coordination mode of a dmp ligand, bidentate chelating in 1, and bidentate bridging in 2 and 3, there is a noticeable change in the position of the bands corresponding to the stretching vibrations of the carboxylate group in the IR spectra. The differences in the structures of the compounds are also reflected in the nature and position of the UV-Vis absorption maxima, which are located at lower wavelengths for 1.

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“…It proves the conclusion about the six-coordinated copper atom of 1 based on the bond lengths. The central atoms of 2 are five-coordinated and exist in a transitional coordination geometry between square pyramidal ( Figure 2b) and trigonal-bipyramidal ( Figure 2c) [34]. The observed distortion from an ideal polyhedron geometry observed in both compounds is caused by the rigid and flat structure of the chelating phen molecules and the restraints provided by the chelating (in 1) and bridging (in 2) carboxylate anions.…”

Section: Structural Analysismentioning

confidence: 95%

Physicochemical Insight into Coordination Systems Obtained from Copper(II) Bromoacetate and 1,10-Phenanthroline

et al. 2020

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Two different coordination compounds of copper were synthesized from the same building blocks (1,10-phenanthroline, bromoacetate anions, and copper cations). The synthesis parameters were carefully designed and evaluated to allow the change of the resulting compounds molecular structure, i.e., formation of mononuclear (bromoacetato-O,O’)(bromoacetato-O)aqua(1,10-phenanthroline-N,N’)copper(II) and dinuclear (μ-bromido-1:2κ2)bis(μ-bromoacetato-1κO,2κO’)bis(1,10-phenanthroline-N,N’)dicopper(II) bromoacetate bromoacetic acid solvate. The crystal, molecular and supramolecular structures of the studied compounds were determined and evaluated in Hirshfeld analysis. The UV-Vis-IR absorption and thermal properties were studied and discussed. For the explicit determination of the influence of compounds structure on radiation absorption in UV-Vis range, density functional theory and time-dependent density functional theory calculations were performed.

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Aspects of the Stereochemistry of Four‐Coordination and Five‐Coordination

Cited by 47 publications

References 462 publications

New fluorescent compounds based on zinc thiocyanate: influence of structure on spectral properties

New fluorescent compounds based on zinc thiocyanate: influence of structure on spectral properties

Copper(II) 2,2-Bis(Hydroxymethyl)Propionate Coordination Compounds with Hexamethylenetetramine: From Mononuclear Complex to One-Dimensional Coordination Polymer

Physicochemical Insight into Coordination Systems Obtained from Copper(II) Bromoacetate and 1,10-Phenanthroline

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