Palladium(II) complexes with 1,2,4-triazole derivative &amp; ethylene diamine as ligands, synthesis, characterization, luminesence study &amp; crystal structure determination

Seyfi, Sara; Alizadeh, Robabeh; Ganji, Masoud Darvish; Amani, Vahid

doi:10.1016/j.poly.2017.06.034

Cited by 13 publications

(2 citation statements)

References 63 publications

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“…The absorption spectra of the synthesized Pd II –Ln III –Pd II complexes with H 4 L are characterized by two absorption maxima in the ultraviolet region between 210–290 nm and an additional small band centered at approximately 375 nm, as shown in Figure S9. The higher-energy bands are attributable to the intra-ligand transitions while the small bands could be assigned to metal-to-ligand charge transfer or a mixture of metal-to-ligand charge transfer and ligand-centered transitions [22,23,24]. No absorption bands due to f-f transitions were observed in the absorption spectra of these compounds due to the fact that the f-f transitions in Ln III ions are very weak [25].…”

Section: Resultsmentioning

confidence: 99%

Structural, Luminescent and Thermal Properties of Heteronuclear PdII–LnIII–PdII Complexes of Hexadentate N2O4 Schiff Base Ligand

2018

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New PdII–LnIII–PdII complexes of hexadentate N2O4 Schiff base ligand (H4L: N,N′-bis(2,3-dihydroxybenzylidene)-1,3-diamino-2,2-dimethylpropane) with Eu (1), Tb (2), Er (3) and Yb (4) ([Pd2Eu(H2L)2NO3](NO3)2∙2H2O∙2CH3OH 1, [Pd2Ln(H2L)2H2O](NO3)3∙3H2O, where Ln = Tb 2, Er 3, [Pd2Yb(H2L)2H2O](NO3)3∙5.5H2O 4) were synthesized and characterized structurally and physicochemically by thermogravimetry (TG), differential thermogravimetry (DTG), differential scanning calorimetry (DSC) and luminescence measurements. The compounds 1–4 are built of cationic heterometallic PdII–LnIII–PdII trinuclear units. The palladium(II) centers adopt a planar square geometry occupying the smaller N2O2 cavity of the Schiff base ligand. The lanthanide(III) is surrounded by two Schiff base ligands (eight oxygen atoms) and its coordination sphere is supplemented by a chelating bidentate nitrate ion in 1 or by a water molecule in 2–4. The complexes have a bent conformation along the PdII–LnIII–PdII line with valence angles in the ranges of 162–171°. The decomposition process of the complexes results in mixtures of: PdO, Pd and respective lanthanide oxides Eu2O3, Tb2O3, Tb4O7, Er2O3, Yb2O3. The luminescent measurements show low efficiency intramolecular energy transfer only in the complex of terbium(III) (2).

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Section: Resultsmentioning

confidence: 99%

Structural, Luminescent and Thermal Properties of Heteronuclear PdII–LnIII–PdII Complexes of Hexadentate N2O4 Schiff Base Ligand

2018

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“…Since the data for ( 2 ) are similar to those of ( 1 ), we have only present the luminescence emission for ( 1 ). The maximum emission peaks observed in polymorphs ( 1 ) and ( 2 ) could be attributed to the mixture of intraligand transfers (π*→π) and MLCT …”

Section: Photoluminescence Properties Of (1) and (2)mentioning

confidence: 99%

Polymorphism of Palladium(II) Complexes : Crystal Structure Determination, Luminescence Properties, Hirshfeld Surface Analyses and DFT/TD‐DFT Studies

et al. 2019

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Two luminescent polymorphs based on a new Pd(II) complex [Pd(mtzt)2(en)] (mtzt=1‐methyl‐1H‐1,2,3,4‐tetrazole‐5‐thiol and en=ethylenediamine) have been synthesized and characterized by FTIR, UV/Vis, elemental analysis,1HNMR and single‐crystal X‐ray diﬀraction analysis. The X‐ray structural analysis indicated that in the structures of these polymorphs Pd(II) cation is four‐coordinated in a distorted square planer configuration by two tetrazole rings in the cis‐positions, two nitrogen atoms of chelated ethylenediamine ligand. The dihedral angles between the planes of the tetrazole rings of polymorphs (1) and (2) are 72.01 and 77.70°, respectively. Moreover, in these polymorphs, intermolecular interactions C−H…N, C−H…S, and N−H…N hydrogen bonds, are effective in the stabilization of the crystal structures. The present study reports a detailed analysis of Hirshfeld surfaces, facilitating a comparison of intermolecular interactions in the supramolecular structure. The geometries of polymorphs (1) and (2) are optimized with B3LYP−D3/TZVP method, and analyzed with natural bond orbital (NBO), then their UV/Vis spectra are calculated with time‐dependent density functional theory (TD‐DFT) method. The IR spectroscopy was performed using VEDA4 software and compared with the experimental values. Quantum chemical parameters are: such as EHOMO, ELUMO, energy gap, chemical hardness (η), and dipole moment (μ), and the frontier molecular orbital properties.

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A new coordination polymer of Cd(II) with 4-methyl-1,2,4-triazole-3-thiol ligand: synthesis, characterization, crystal structure, photoluminescence and DFT calculation

Pour Ghasem,

Alizadeh,

Seyfi

et al. 2023

Transit Met Chem

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Palladium(II) complexes with 1,2,4-triazole derivative & ethylene diamine as ligands, synthesis, characterization, luminesence study & crystal structure determination

Cited by 13 publications

References 63 publications

Structural, Luminescent and Thermal Properties of Heteronuclear PdII–LnIII–PdII Complexes of Hexadentate N2O4 Schiff Base Ligand

Structural, Luminescent and Thermal Properties of Heteronuclear PdII–LnIII–PdII Complexes of Hexadentate N2O4 Schiff Base Ligand

Polymorphism of Palladium(II) Complexes : Crystal Structure Determination, Luminescence Properties, Hirshfeld Surface Analyses and DFT/TD‐DFT Studies

A new coordination polymer of Cd(II) with 4-methyl-1,2,4-triazole-3-thiol ligand: synthesis, characterization, crystal structure, photoluminescence and DFT calculation

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