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The PdII complex was synthesized on the platform of hyperbranched polyester polyphthalate. The polymeric ligand and complex were characterized by different methods, including 1H NMR, IR spectroscopy, electron spectroscopy in the visible and UV ranges, elemental analysis, differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), electron microscopy, nitrogen adsorption/desorption, temperature-programmed reduction (TPR) in a hydrogen flow, and XRD. The polymer macromolecule was found to contain ten terminal phthalate groups. The PdII complex is characterized by the ratio ligand: PdII = 2: 5 and contains a square-planar coordination site, which favors the formation of a cluster with the predominant pore diameter from 2 to 10 nm. After the reduction of the PdII complex in a hydrogen flow, Pd0 nanoparticles stabilized on the polymer substrate were obtained. The complex showed a high catalytic activity in the reduction of α-methylstyrene to cumene under mild conditions. [ABSTRACT FROM AUTHOR]

A second-generation hyperbranched polyester with the terminal carbamoyl phosphonate groups has been synthesized. The structure of the resulting polyester has been studied by IR, 1H NMR, 31P NMR, and electron spectroscopy. It has been found that 25% of the terminal OH groups of polyester polyol were subjected to functionalization. Using the TGA method, the thermal stability temperature of the resulting polyester was evaluated to be 138°C. We have synthesized a complex of the resulting polyester with the Pd(II) ions, and the complex structure has been studied by IR and electron spectroscopy. The composition of the ligand–Pd(II) complex has been evaluated to be 1 : 6. We have found by the TGA method that this complex is thermally stable up to 207°C. The temperature of reduction of the Pd(II) ions by molecular hydrogen to Pd(0) has been assessed as –20.6°C. Electron microscopy has been used to demonstrate the spherical morphology of hyperbranched polyester polycarbamoyl phosphonate with Pd(0) atoms, with the predominant fraction being 1.5 μm. It has been shown that the use of hyperbranched polyester polycarbamoyl phosphonate as a catalyst provides the activation energy of 55.8 kJ/mol for hydrogenation of α-methylstyrene to cumene with the effective rate constant of 1.950×10–2 L/(gcat s) at 45°C and atmospheric pressure. The results indicate the prospects of using hyperbranched polyester polycarbamoyl phosphonate as a matrix to obtain catalysts for the hydrogenation of unsaturated compounds. [ABSTRACT FROM AUTHOR]

Vinyl‐addition polynorbornenes are versatile templates for the targeted design of high‐performance materials for various applications such as membrane gas separation, micro‐ and optoelectronics, fuel cells, sensors, and catalyst supports. The cornerstone of the synthesis of these compounds is the choice of catalyst used for polymerization. Previous review articles focused on two‐ and three‐component catalytic systems with cocatalysts used for vinyl‐addition polymerization (VAP). Hence, this Review discusses the advances in the design and development of single‐component neutral and cationic catalysts for the VAP of norbornenes. The catalyst structure, catalytic activity, and molecular weight characteristics of the polymers produced using these catalysts are elucidated. [ABSTRACT FROM AUTHOR]

A new trans-bidentate ligand, 1,2-bis(quinolin-2-ylethynyl)benzene, was synthesized and coordinated to PdCl2. The structure of the acetonitrile solvate of this species was determined by single-crystal X-ray diffraction. The complex crystallizes in the orthorhombic space group Ibam, with a = 25.0726(18) Å, b = 11.7373(6) Å, and c = 18.9700(10) Å in a layered structure. When bound to 1,2-bis(quinolin-2-ylethynyl)benzene, the Pd(II) metal center displays a distorted square planar geometry. This coordination complex was compared to PdCl2-coordinated 1,2-bis(2-pyridylethynyl)benzene, a previously reported trans-bidentate ligand. Structural comparison indicated that the binding pocket for these two trans-bidentate ligands are similar, though the 1,2-bis(quinolin-2-ylethynyl)benzene ligand is somewhat more planar. A new trans-bidentate ligand, 1,2-bis(quinolin-2-ylethynyl)benzene (BQEB), was synthesized and coordinated to PdCl2. [ABSTRACT FROM AUTHOR]

There is a constant necessity of finding new, reliable antimicrobials, due to the rapid emergence of antibiotic resistant bacteria. This paper tries to address this issue, as the possibility of formation of Pd(II) and Pt(II) coordination compounds of avibactam and their properties were investigated. Moreover, the effect of complexation on interactions with OXA-48 β-lactamase was thoroughly examined with computational approaches. It was found that the formation of Pd(II) and Pt(II) complexes of avibactam is thermodynamically favorable. Furthermore, it was observed that the binding energies of Pd(Avi)2 to OXA-48 approach that of Avibactam, whereas that of Pt(Avi)2 are somewhat less favorable. As such, they may be considered as new potential non-β-lactam β-lactamase inhibitors.

Novel azo ligand of indole namely, 3-(2-benzothiazolylazo)-indole (BTAI) was synthesized by coupling diazonium salt with indole. The BTAI ligand and its complexes of copper and palladium have been characterized by different techniques (1H-NMR, UV–Vis and FT-IR and spectral studies, elemental analysis (C.H.N.) and conductivity. Metal complexes were studied by using mole ratio as well magnetic susceptibility. The BTAI ligand is bidentate and copper complex is octahedral while palladium complex is square planer. The BTAI ligand exhibited potential properties as solvatochromic, photochromic and pH sensor. A category of hematological neoplastic diseases known as leukemia are associated with significant mortality rates across the globe. The objective of this study was to assess the antileukemic activity in vitro. The MTT experiments were carried out to determine the azo dye ligand of palladium's cytotoxicity on acute (HL60) myeloid leukemia cell lines as well as on normal Vero cell lines. The findings showed a strong antitumor activity (IC50 = 104.10 μg/mL) against HL60 cell lines versus 164.0 μg/mL against normal cell lines. The findings of this study imply that, HL-60 cells of Human leukemia experience higher levels of oxidative stress than the health cell of HdFn and the concentrations of MDA under the treatment with palladium complex decreased significant. [ABSTRACT FROM AUTHOR]

The excellent catalytic activities of abnormal NHC carbene complexes, where the C2 position remains unaffected, and coordination occurs at the C4 or C5 position of the imidazolium ring, is still a fascinating but scarce area of research. This present work reports a palladium complex (LPdBr) bearing abnormal NHC with CNN pincer architecture. It is synthesized from imidazolium‐based quinoline ligand (LH) with Pd(OAc)2 via ‐NH and carbene deprotonation. The complex was fully characterized by NMR spectroscopy (1D and 2D) and high‐resolution mass spectrometry (HRMS). The structure and abnormal coordination modes of the complex are further confirmed with the help of single‐crystal X‐ray diffraction. The studies revealed the abnormal coordination mode in LPdBr where C5 carbon of the imidazolium ring participates in bonding, leaving the C2 position unaffected. The catalytic potential of complex LPdBr was investigated in the Pd‐catalyzed Suzuki‐Miyaura coupling of various aryl/heteroaryl chlorides with different aryl/naphthyl/phenanthryl boronic acids. The catalyst LPdBr successfully activated various less‐activated aryl chloride substrates. LPdBr also exhibited good catalytic activity at 1 mol% Pd loading under microwave irradiation and in green solvent water. The mechanism of the catalytic cycle is investigated and proposed by HRMS. [ABSTRACT FROM AUTHOR]

During outstanding research in the late 1950s in Munich, which led to the development of the Wacker process for converting ethene into acetaldehyde by catalysis of PdCl2, black insoluble nitrosyl‐palladium chloride (PdCl(NO)) was obtained. More than sixty years after its first synthesis, its crystal structure was now determined by X‐ray diffraction. PdCl(NO) (mP16, P21/c, a=10.2684(5), b=4.0737(2), c=7.8456(4) Å, β=111.125(1)°, wR2=0.0572) consists of distorted Pd4Cl4 octagons in chair arrangement to which four distorted Pd2Cl2 squares are annulated on every second edge. In this arrangement each of the two Pd atoms of the squares are connected to one N−O group, bonded alternatively up and down to the Pd atoms with a Pd−N−O angle of 129°. Such a square has the composition of the dimer which was found in the mass spectrum at 343.6 m/e. The octagons with four squares are interconnected to corrugated layers in the b‐c‐plane as a two‐dimensional polymer. [ABSTRACT FROM AUTHOR]

A critical query on literature is the approach used to immobilize homogeneous catalysts to improve their efficiency and recyclability. This work aims to compare the immobilization level of a kind of Pd‐N,N′‐bis(salicylidene)‐o‐phenylenediamine complex on high surfaces of polymeric resins to provide heterogenous catalysts for Mizorocki‐Heck reaction. The preparation method involves two strategies: (i) polymerization of the ligand before the complex‐synthesis in a "multi‐step (MS)" approach and (ii) a direct "one‐step" (OS) immobilization by polymerization of the metal‐containing monomers (MCMs) as co‐monomer. Both approaches effectively yield polymers with a larger surface area, over 700 m2 g−1, and suitable thermic properties to use in the proposed reaction. In addition, the characterization of the polymers by XRD, XPS, and TEM demonstrates notable differences in Pd species on polymer support associated with the methodological approach to immobilizing the metal complex. [ABSTRACT FROM AUTHOR]

The research included formation of (E)-2-(1H-indol-3yl)diazenyl)thiazole (HIDAT) ligand resulting from the reaction diazonium salt of 2-aminothiazole compound with indole compound. Azo dye ligand (HIDAT) and its complexes of the transition elements (cobalt, nickel, copper and palladium) were prepared and characterized by different technique such as elemental analysis (C.H.N.S), mass spectroscopy, 1H NMR, FT-IR, UV–Visible and magnetic measurements as well as molar conductivity. The HIDAT complexes were synthesized under molar ratio (1:2) of metal to ligand excepting Pd(II) complex prepared under mole ratio equal to 1:1. The HIDAT ligand presented significant ability to know pH for aqueous solutions. According to the infrared data, HIDAT dye functions as a bidentate ligand. The spectral studies were designated to octahedral geometry for the synthesized complexes excepting Pd complex was square planar. The cytotoxicity effect of palladium complex was demonstrated in human leukemia cell line HL-60 and HdFn healthy cells and the MTT results against HL-60 cells were more susceptible to the palladium complex's cytotoxicity than HdFn cells. The docking (MOE) study of the palladium complex against leukemia cancer protein (3s7s) has promising inhibition activity.

Homopolymerization of styrenic monomer featuring different functional group and their copolymerization with carbon monoxide were investigated by imine-pyridine palladium complex with the assistance of AgSbF 6. Poly(4-vinylbenzyl chloride) and poly(4-N,N-dimethylaminostyrene) were produced probably according to coordination-insertion mechanism. In the presence of carbon monoxide, substituted styrenes except for the 4-N,N-dimethylaminostyrene were copolymerized with CO to yield polyketones by the same catalysts. Thus, polyketones featuring chloromethyl group, diphenylaminomethyl group and quaternary ammonium salt were produced for the first time by direct alternating copolymerization. DSC results disclosed that glass transition temperature of the resulting polyketones was significantly affected by the substituents. The T g of polyketone featuring quaternary ammonium salt was 160 °C. [Display omitted] • Homopolymerization of 4-vinylbenzyl chloride or 4-N,N-dimethylaminostyrene catalyzed by imine-pyridine palladium catalyst according to coordination-insertion mechanism for the first time. • Alternating copolymerization of a series of substituted styrenes with carbon monoxide by palladium catalyst to yield polyketones featuring different functional groups. • High glass transition of polyketones featuring quaternary ammonium salt produced by direct copolymerization. [ABSTRACT FROM AUTHOR]

[Display omitted] The organic compound (Z)-2-bromo-2-(5-bromo-2-hydroxy-3-methoxybenzylidene)- N -metylhydrazine-1-carbothioamide (L1H 2) and its nickel(II) complex [Ni(L1)(PPh 3)](1) and palladium(II) complex [Pd(L1)(PPh 3)](2) were synthesized and characterized using various spectroscopic methods, including NMR,FT-IR, HRMS, and UV–Vis spectroscopy. Single-crystal X-ray diffraction analysis was used to determine the crystal structures of [Ni(L1)(PPh 3)](1) and [Pd(L1) (PPh 3)](2). The Hirshfeld surface analysis was used to study various interactions in the crystal structure of complexes. In addition, an energy framework computational analysis was also done to gain a further understanding of the structural details of the complexes. DFT-based calculations were done for the ligand and its associated metal complexes to establish the correlations between their structural characteristics and integral properties. Ligand and its complexes were evaluated for their antimicrobial effects. The antimicrobial effects of ligands and their complexes were assessed. It was found that both Ni(II) and Pd(II) complexes showed better antimicrobial activity.The minimum inhibitory concentration for the [Ni(L1)(PPh 3)] complex ranges from 1.95–250 µM; for the [Pd(L1)(PPh 3)] complex, it ranges from 3.5–250 µM; and for the ligand, it ranges from 62.5–250 µM against both bacterial and fungal strains. The synthesized compounds were tested for anti-proliferative assays against the HELA carcinoma cell line. The IC 50 values obtained were 98.83 µM for the ligand, 83.09 µM for the Ni(II) complex, and 86.74 µM for the Pd(II) complex, suggesting Ni(II) complex a stronger anti-cancerous agent compared to the Pd(II) complex.Noteworthy, both complexes and standard drugs (ciprofloxacin and nystatin) showed non-cytotoxic behavior towards the normal HEK-293 cell line. The increased efficacy and selective cytotoxicity of the complexes highlight their potential as a candidate for further investigation and development into a potent therapeutic agent as an antimicrobial and anticancer agent. [ABSTRACT FROM AUTHOR]

Metal-based chemotherapeutics, especially platinum complexes, are widely used in the treatment of various types of cancer. Recent studies have shown that palladium compounds have similar or even greater cytotoxic properties than platinum complexes. Juglone (5-hydroxy-1, 4 naphthoquinone), as a natural compound, has anti-tumor properties on various cancer cell lines. In this study, the complex of palladium (II) with juglon and phenanthroline was synthesized and its cytotoxicity property on MCF-7 (human breast cancer cell line) was evaluated. The fluorescence images have been presented to detect the anti-proliferative effect. The [Pd (Jug) (phen)]Cl complex was found to have more cytotoxic properties (IC50: 5.2 μM) on MCF-7 cell line than juglone (IC50: 12 μM). Furthermore, the interaction of the complex [Pd (Jug) (phen)]Cl with HSA, DNA, and 2JVU has been investigated using the molecular docking method. This compound is considered with the potential of anti-tumor activity and can be a good candidate for the next stages of in vitro and in vivo screening. [ABSTRACT FROM AUTHOR]

Since the design of metal complexes with better biological activities is important, herein a new palladium(II) complex bearing en and acac (en and acac stand for ethylenediamine and acetylacetonato, respectively) as its ligands, [Pd(en)(acac)]NO 3 complex, was synthesized and fully characterized. Quantum chemical computations of the palladium(II) complex were done via DFT/B3LYP method. Cytotoxicity activity of the new compound on leukemia cell line (K562) was assessed via MTT method. The findings indicated that the metal complex has remarkable cytotoxic effect than cisplatin. OSIRIS DataWarrior software was employed to calculate in-silico physicochemical and toxicity parameters of the synthesized complex which rendered significant results. To comprehend the interaction type of new metal compound with macromolecules, the in depth investigation of interaction of mentioned complex with CT-DNA and BSA was accomplished by fluorescence, UV-Visible absorption spectroscopy, viscosity measurement, gel electrophoresis, FRET analysis and circular dichroism (CD) spectroscopy. On the other hand, computational molecular docking was carried out and the obtained data demonstrated that H-bond and van der Waals forces are the dominant forces for the binding of the compound to the mentioned biomolecules. Molecular dynamics simulation was also done and confirmed the stability of best docked pose of palladium(II) complex inside DNA or BSA over the time and in presence of water solvent. Also, Our own N-layered Integrated molecular Orbital and molecular Mechanics (ONIOM) methodology based on the hybridization of quantum mechanics and molecular mechanics (QM/MM) methodology was accomplished to inquire about binding of Pd(II) complex with DNA or BSA.HIGHLIGHTSNew biologically active Pd(II) complex was synthesized and characterized.The in silico studies of the designed complex and its ligands were accomplished by OSIRIS DataWarrior softwareInteraction with CT-DNA and BSA was assessed by various spectroscopic methods.Molecular docking simulation supported the interaction with both macromolecules.Based on ONIOM analysis, the structures of the complex and biomolecules are altered after binding. Communicated by Ramaswamy H. Sarma.

The synthesis and characterization of 1-(thiophen-2-yl)-N-(p-tolyl)methanimine and bis[1-(thiophen-2-yl)-N-(p-tolyl) methanimine]PdCl2 are reported here. Both compounds are well characterized with 1H NMR, IR spectra and elemental analysis data. The reaction of thiophene-2-carbaldehyde reacted with p-toluidine in ethanol solvent at room temperature in 1:1 ratio afforded yellow colour solid of 1-(thiophen-2-yl)-N-(p-tolyl)methanimine in excellent yield. The reaction of 1-(thiophen-2-yl)-N-(p-tolyl)methanimine with Na2PdCl4 afforded 2:1 adduct of bis[1-(thiophen-2-yl)-N-(p-tolyl) methanimine]PdCl2 complex. This manuscript is mainly concerned with the synthesis and characterization of a new bis[1-(thiophen-2-yl)-N-(p-tolyl)methanimine]PdCl2 complex bearing Schiff base, 1-(thiophen-2-yl)-N-(p-tolyl)methanimine ligand. In order to improve every aspect of the catalytic cycle in various coupling reactions like Suzuki, Heck, Stille cross couplings and Sonogashira reaction, it is necessary to develop novel highly stable organopalladium complexes as catalyst. The develop palladium complex can be used as a catalyst in several coupling reactions. The Schiff base ligand, 1- (thiophen-2-yl)-N-(p-tolyl)methanimine can also be employed in several metallation reactions. These metallated compounds can be used in development of a new sight of organometallic chemistry and synthesis of organic molecules. [ABSTRACT FROM AUTHOR]

Ligand-controlled divergent regioselectivity in Pd-catalyzed alkoxycarbonylation of alkenes. [Display omitted] • Synthesis of pinwheel-like tridentate phosphines. • Ligand-controlled divergent regioselectivity in Pd-catalyzed alkoxycarbonylation of alkenes. • Flexible tridentate phosphine in charge of anti -Markovnikov's alkoxycarbonylation of alkenes. • Rigid tridentate phosphine in charge of Markovnikov's alkoxycarbonylation of alkenes. The elaborate control of regioselectivity regulated by the involved ligands with specific structural skeleton and compositions is always demanded in alkoxycarbonylation of alkenes. Herein, a series of pinwheel-like tridentate phosphine ligands with rotatable flexibility (L3) or hard rigidity (L5–L7) were synthesized and characterized for the first time, in which the incorporated three PPh 2 -fragments are located at meta-positions of phenyl groups. It was proved that the tridentate phosphine of L3 with the flexible configuration favorably corresponded to the linear regioselectivity with l/b ratio of 98/2, whereas L7 with the rigid configuration absolutely did favor to the branched regioselectivity with l/b ratio of 1/99. The presence of the three PPh 2 -frgaments in L3 did contribute to the remarkable performance of L3 -Pd(TFA) 2 system in terms of activity, linear regioselectivity and stability, subjected to 10-run recycling uses in anti -Markovnikov's methoxycarbonylation of styrene without activity loss and Pd-black precipitation. In comparison, although the optimal L7 -Pd(MeCN) 2 Cl 2 system could catalyze Markovnikov's alkoxycarbonylation of alkenes to afford the branched esters with excellent regioselectivity in the fresh use, its stability was too poor to support the recycling experiments. L3 -Pd(TFA) 2 and L7 -Pd(MeCN) 2 Cl 2 catalytic systems were both applicable to a wide range of substrates in alkoxycarbonylation of alkenes to afford the target esters in the isolated yields of 41–91 %, with the well maintained divergent regioselectivity. [ABSTRACT FROM AUTHOR]

Sterically hindered 2‐iminopyridine derivatives and their palladium chlorides complexes are designed and prepared, which efficiently promote the Suzuki–Miyaura coupling (SMC) reaction in aqueous solution. Besides the good to excellent yields and broad substrate scope, these catalysts can be reused for at least four new batches of the substrates. Spontaneous separation of coupling products in the aqueous reaction medium is the additional striking feature of this catalytic process. Furthermore, catalytic performance of palladium complexes bearing the azo‐bridged phenyl groups was greatly influenced by the UV irradiation due to the cis/trans photoisomerization of azo unit of the catalysts. In conclusion, titled palladium complexes provide a green, sustainable, cost‐effective, and convenient process to synthesize SMC products at multi‐gram‐scale reaction. [ABSTRACT FROM AUTHOR]

Herein, we report a comparative study based on structure, thermal and solution stability, and biopotency against lipoxygenase (LOX), butyrylcholinesterase (BChE) and microbes for Pd(II) compounds of N,O,S bearing 5-(C5H4XR)-1,3,4-oxadiazole-2-thiones (L′) of type [PdL′Cl2] (P′n) and N,O bearing respective hydrazides (L) of type trans-[PdL2Cl2] (Pn) {X = C, R = 4-I, 2-Br, 4-NO2, 3-NO2, 2-Cl, 3-Cl (n = 1–6, serially); X = N (n = 7)}. Spectral techniques (IR, EI-MS, NMR) and physicochemical evaluations successfully characterized the new compounds. The L′ behaved as bidentate S-N donors bonded through exocyclic sulfur and N-3′ nitrogen, while L acted as amino N donors. UV–vis (solution speciation) and thermal degradation profiles consistently confirmed the greater stability for P′n than Pn compounds. These compounds manifested varying degree in vitro potential to inhibit LOX, BChE and several bacteria and fungi, affected mainly by Pd(II) presence, M-L binding mode, nature and position of R, or halo groups electronegativity. Molecular docking with human 5-LOX and BChE further validated the respective experimental inhibition findings and explored several putative mechanistic interactions (H-bonding, π-stacking, π-alkyl, π-S, etc.) at the enzyme active sites. Pn generally offered superior antimicrobial and anti-LOX (anti-inflammatory) potential than respective P′n compounds, with P3/P′5, P(2,3,7)/P′3, and P6 being comparable, better and equivalent to ampicillin, nystatin and baicalein, the reference antibacterial, antifungal and anti-LOX drugs, respectively. Contrarily, the anti-BChE activity of P′n was found better than Pn compounds, showing P′2/P1 as the most promising anti-Alzheimer drug candidates. This study bares important structural and mechanistic aspects in optimizing antimicrobial, anti-inflammatory and anti-Alzheimer activities, highlighting some potential future pallado-drug candidates.

By industrialization, management of water resources is known as one of the most challenging issues for human society due to the presence of various contaminants such as oil, azo dyes, and micropollutants in water. The treatment of wastewaters containing more than one type of pollutants via a single-step process cannot be performed by a simple adsorption process. In this study, by combining the advantages of superparamagnetic iron oxide, carboxymethyl-β-cyclodextrin polymer, and N-heterocyclic palladium complex, a versatile bi-functionalized iron oxide nanoadsorbent [Fe3O4@CM-β-CDP@Tet-Pd] was fabricated for the capture of toxic dyes in wastewater. The structure of nanoadsorbent was characterized by Fourier transform infrared spectroscopy, X-ray diffraction, scanning electron microscopy, transmission electron microscopy, thermogravimetric analysis, and vibrating sample magnetometer analysis. Afterward, the catalytic activity of the synthesized nanoadsorbent was examined in the aqueous solution of sodium borohydride as the reducing agent for rhodamine B, methylene blue, 4-nitrophenol, Metanil yellow, and Eosin Y. The UV-vis spectroscopy was used to monitor the catalytic activity of the [Fe3O4@CM-β-CDP@Tet-Pd] in an aqueous medium. The nanoadsorbent was successfully recovered and re-used six times, without remarkable loss in its catalytic activity. These results showed that the combination of iron oxide nanoparticles with carboxymethyl-β-cyclodextrin polymer provides a promising well-performed and easily recyclable nanoadsorbent for dye uptake and wastewater treatment. [ABSTRACT FROM AUTHOR]

Palladium catalysts modified with iminopyridine ligands were employed for ethylene/CO and styrene/CO copolymerization and ethylene/styrene/CO terpolymerization. Our studies revealed that the steric and electronic effects of the catalysts play key, yet distinct roles in these polymerization reactions. The thermal properties of the polyketones were engineered by varying the styrene content in terpolymers derived from ethylene, styrene, and CO sources, with increased styrene ratios yielding reduced polyketone crystallinity. [ABSTRACT FROM AUTHOR]

This study presents a novel, economical, and environmentally technique for synthesizing magnetic palladium complex conjugated to activated calcium lignosulfonate with triethylenetetramine (Fe 3 O 4 @lignosulfonate@triethylenetetramine@Pd complex (FLT-Pd complex)) as a practical and air-stable catalyst. FLT-Pd complex is used as a catalyst for the fabrication of 4-methyl- N -phenyl-benzenesulfonamide derivatives via N -arylation of 4-methylbenzenesulfonamide in good yields. Furthermore, because of the complex magnetic reparability and high stability, it could be removed easily from the reaction media using a magnet and reused 5 cycles without a remarkable loss of catalytic prowess. [Display omitted] [ABSTRACT FROM AUTHOR]

[Display omitted] • Protein nanoparticles can be used as drug carriers with high efficiency. • Palladium can bind to the oxime ligand and show an acceptable interaction with biological macromolecules. • Palladium complexes with different structures and ligands show different release mechanisms from the surface of albumin nanoparticles. In this research work, two new palladium complexes [ trans -Pd(C15H10NOCH3)2]Cl2 (1) and [ cis - Pd(C15H10NOCH3)(PPh3)2Cl]Cl (2) were synthesized using an alkoxyme ligand named isophethalaldoxime. Then structure characterization has been done by FT-IR and different NMR (1H, 13C and 31P) spectroscopy. Then, their interactions with biological macromolecules including deoxyribonucleic acid and bovine serum albumin were studied using various spectroscopic methods such as UV–Vis absorption, fluorescence emission spectroscopy and circular dichroism. The results showed the binding of the prepared complexes to the deoxyribonucleic acid via grooves and different binding sites of bovine serum albumin. Fluorescence emission data showed that the mechanism of extinction of albumin emission by these compounds is static. Competitive titration was performed on albumin with eosin-Y, ibuprofen and digoxin as site markers I, II and III. The antitumor activity and toxicity of these compounds were evaluated on cancer cell lines A549 (leukemia) and K562 by in-vitro cytotoxicity test. The IC50 values showed the good activity of these complexes in inhibiting cancer cells. In the last section, the release mechanism of synthesized complexes from albumin nanoparticles (BNPs) was investigated and theoretical calculations were performed that showed Korsmeyer-Peppas mechanism for complex (1) and Quadratic mechanism for complex (2). [ABSTRACT FROM AUTHOR]

Three new palladium complexes ([Pd(DABA)Cl2], [Pd(CPDA)Cl2], and [Pd(HZPY)Cl2]) bearing dinitrogen ligands (DABA: 3,4-diaminobenzoic acid; CPDA: 4-chloro–o-phenylenediamine; HZPY: 2-hydraziniopyridine) were synthesized, characterized, and tested against breast cancer (MCF-7), prostate carcinoma cell line (PC3) and liver carcinoma cell line (HEPG2). [Pd(DABA)Cl2] complex exhibited the highest inhibition percentage, lying between 68–71%. The hydrolysis mechanism of each palladium complex, the key step preceding the binding to the biological target, as well as their photophysical properties were explored by means of DFT and TDDFT computations. Results indicate a faster hydrolysis process for the Pd(DABA)Cl2 complex. The computed activation energies for the first and second hydrolysis processes suggest that all the compounds could reach DNA in their monohydrated form.

A new bis- N -heterocyclic carbene palladium complex, (C13H9N2F2)2PdCl2, is synthesized by a three-step reaction and characterized by 1H NMR and 13C NMR spectroscopy as well as by X-ray crystallography. This new bis- N -heterocyclic carbene palladium complex has excellent stability and is capable of efficiently catalyzing the Mizoroki–Heck coupling reaction of aryl halides with acrylates. [ABSTRACT FROM AUTHOR]

New hybrid tripodal propeller ligands on the triphenylphosphine oxide platform with triazole rings in the side arms and alkyl and aryl substituents in the triazole fragments have been synthesized by the click reaction. Composition and structure of the prepared compounds have been established by vibrational (IR, Raman) and multinuclear (1H, 13C, 31P) NMR spectroscopy, elemental analysis, and mass spectrometry. Coordination and extraction properties of the prepared compounds toward Pd(II) have been studied by the example of one of the ligands. [ABSTRACT FROM AUTHOR]

The organometallic palladium complex with nitrogen‐containing heterocycles is a potent antitumor agent. Coordination of phosphorus ligands to organometallic complexes increases their hydrophilicity, promotes ligand−DNA interactions and damage level to cancer cells, and blocks division in target cells. In this study, a phosphaadamantane palladium complex ([Pd{(C,N)‐ (C12H8NH2)} (PTA) Cl], PTA = 1,3,5‐Triaza‐7‐phosphaadamantane) (2) was synthesized via the reaction of biologically active PTA with binuclear palladacycles [Pd2{(C,N)‐(C12H8NH2)}2(μ‐Cl)2] (1). In vitro studies of the complex with DNA (calf‐thymus) explored by UV–Vis, emission titration, circular dichroism and helix melting methods showed that the complex interacts with DNA via an intercalative mechanism. Furthermore, competitive binding studies using warfarin, digoxin and ibuprofen site markers containing definite binding sites revealed the binding of the complex to site I on bovine serum albumin. The in vitro release mechanism of the palladium complex exhibited a biphasic pattern characterized by an initial burst release followed by a slower sustained release. Ultimately, in vitro evaluation of cytotoxicity and cell death showed that the complexes were able to decrease the viability of human cancer cell lines (MCF‐7 and Jurkat) in a dose‐dependent manner, but lower decreases were observed in the viability of normal fibroblast cells ASF‐4 at the dosages evaluated. Finally, the order of in vitro anticancer activities was found to be consistent with the DNA‐binding affinities. [ABSTRACT FROM AUTHOR]

N,O-chelating dicarbonylhydrazido-palladium complexes were synthesized by treatment of 1,2-bis(trifluoroacetyl)hydrazine with a mixture of a Pd(0) source, [Pd(dba)2] (DBA = dibenzylideneacetone), and four-electron donors including 1,3-bis(diphenylphosphino)propane (DPPP), N,N,N’,N’-tetramethylethylenediamine (TMEDA), and two equivalents of triphenylphosphine. The same products from DPPP and TMEDA could be obtained alternatively by using Pd(OAc)2 through deprotonation of the diacylhydrazine. The five-membered chelate structure was confirmed by NMR spectra and X-ray crystal structure determination. The X-ray structures indicate that the products are formally considered as Pd(II) complexes with a hydrazido(2–) ligand. In the case of the triphenylphosphine-coordinated complex, a fluxional behavior in dichloromethane-d2 was observed by variable temperature NMR experiments, possibly due to structural changes between the square planar and pseudo-tetrahedral geometries.

The ensemble of 2,6-bis(2-chlorophenyl)dithiazolo[4,5-b:5',4'-e]pyridine 1 with Pd2+ ions (1•Pd2+) was prepared for the detection of cyanide ions (CN¯) in 50% aqueous methanol. Among the tested metal ions, only Pd2+ sensitively induced the red shift of the absorption bands and the complete decrease of fluorescence emission. The detection limit toward Pd2+ was 2 ppb. The ensemble 1•Pd2+ selectively and rapidly detected a low concentration of cyanide ions by a colorimetric change (40 ppb) as well as a "turn-on" fluorescent response (5 ppb). Job's plot revealed the complex formation with 1:1 stoichiometry. The binding and replacement mode of 1•Pd2+ and CN¯ were also confirmed by 1H NMR titrations and IR analysis. In general, a fast and selective recognition of CN¯ is reported. [ABSTRACT FROM AUTHOR]

A novel selenated Schiff base (S)‐L1H has been synthesized from (2S)‐1‐(benzylselanyl)‐3‐phenylpropan‐2‐amine which upon reduction formed a reduced Schiff base (S)‐L2H. Palladium (II) complexes (S)‐1 and (S)‐2 of ligands (S)‐L1H and (S)‐L2H respectively were successfully synthesized. The structures of all four compounds were thoroughly identified by analytical and various spectroscopic techniques. The absolute molecular structures of the above two complexes were further confirmed by single crystal X‐ray diffraction. Both (S)‐L1H and (S)‐L2H coordinated as monobasic ((S)‐L1–2), chelating, tridentate (Se,N,O−) ligands resulting in the complexes of composition (S)‐[PdCl(L1/2)] [(S)‐1/2]. In the crystals of complexes (S)‐1 and (S)‐2, there were moderate to strong Se⋯O, CH⋯Cl and CH⋯O types of intermolecular secondary interactions. CT‐DNA binding activity of these selenium‐containing ligands and their palladium complexes bearing a Pd–Se bond have been evaluated for the first time by performing electronic absorption titration and fluorescence emission quenching using CT‐DNA‐EB and viscometric experiments. These ligands and complexes exhibited remarkable DNA binding activity as shown by their intrinsic DNA binding constants (Kb) and Stern–Volmer constants (Ksv) in the ranges 5.2–9.9 × 104 and 3.6–4.7 × 104, respectively. The viscosity of CT‐DNA decreases with increasing concentration of these compounds. The results of the DNA‐binding studies revealed that all of the compounds interact with DNA at a minor groove which was further confirmed by molecular docking studies. [ABSTRACT FROM AUTHOR]

Our quantum chemical calculations predicted high stability of a palladium complex with 1,2,3,4,5-pentaphenylphosphole (ppp). The ligand, ppp, is unstable in free state and readily oxidized in air when in solution. The complex Pd(ppp) was synthesized and detected by electrospray ionization mass spectrometry. A Fourier transform ion cyclotron resonance mass spectrometry study revealed the presence of the complex in a solution after six months storage of the solution in air, thus demonstrating the possibility to stabilize the phosphorus ligand by complexation with transition metal. [ABSTRACT FROM AUTHOR]

The fabrication of aminotetrazole–palladium(II) complex immobilized on silica-encapsulated Fe3O4 magnetic nanoparticles is described with full characterization using XRD, TGA–DTG, EDS, TEM, FESEM, VSM and FTIR spectroscopy. This prepared core–shell entity has been explored as a highly efficient reusable nanocatalyst with superior stability and high catalytic activity in the reduction of hexavalent chromium [Cr(VI)], nitroarenes and azo dyes compared to other reported Pd-based nanocatalysts. The catalytic activity of the catalyst for the reduction of Cr(VI), 2,4-dinitrophenylhydrazine, 4-nitrophenol, methyl orange, Congo red, nigrosin and rhodamine B with sodium borohydride (NaBH4) aqueous solution or formic acid is evaluated by UV–Vis spectroscopy. The present study illustrates an unprecedented example of arylaminotetrazole grafted on magnetic nanoparticles as an excellent magnetically recoverable catalyst which can be recycled seven times without any meaningful changes in the reaction time. [ABSTRACT FROM AUTHOR]

This study contains the synthesis of a heteroleptic Pd(II) cis–[PdCl2(NHC)(PPh3)] complex containing an N-heterocyclic carbene (NHC) and a triphenylphosphine (PPh3) ligand. The complex was prepared from the related [PdCl2(NHC)(3–Clpy)] complex (PEPPSI), replacing the 3-chloropyridine ligand (3-Clpy) by the PPh3 ligand, and characterized by using 1H NMR, 31P NMR, 13C NMR, FT-IR, UV-vis spectroscopies and elemental analysis. The molecular and crystal structure of the complex was determined by single-crystal X-ray diffraction analysis. Comprehensive theoretical calculations including the optimized structural parameters, the HOMO–LUMO energy gap, vibrational frequencies, and chemical shifts were calculated using density functional theory (DFT) with the B3LYP/LanL2DZ//6–31G* level and compared with the experimental data. Natural population analysis (NPA), charge decomposition analysis (CDA) and natural bond analysis (NBO) were carried out. Non-covalent interaction (NCI) calculations were also performed to identify the weak non-covalent interactions from the topological analysis and the reduced gradient of the electron density of complex. Predictive study for the biological activities using PASS (prediction of activity spectra for biologically active substances) online software showed optimistic activities for the complex as an antineoplastic (melanoma) and nicotinic α6β3β4α5 receptor antagonist. [ABSTRACT FROM AUTHOR]

In this work a new highly fluorescent N,N‐dimethyl benzylamine–palladium(II) yu complex was synthesized by the reaction of [Pd2{(C,N–C6H4CH2N(CH3)2}2(μ‐OAc)]2] with curcumin. The structure of the synthesized complex was characterized using Fourier transform infra‐red (FT‐IR) spectroscopy, 1H nuclear magnetic resonance spectroscopy, and elemental analysis. Fluorescence quantum yield (ΦF) values of the synthesized complex in dimethyl sulfoxide (DMSO), acetonitrile, ethanol, and methanol were 0.160, 0.104, 0.068, and 0.061, respectively. The fluorescence signal of the complex in the organic solvents was very sensitive to the water content of the organic solvent. The quenching effect of water was used to determine trace amounts of water in the heteroatom‐containing organic solvents (ethanol, methanol, acetonitrile) and redox‐active solvents (DMSO). The linear ranges for determination of water (v/v %) in ethanol, DMSO and acetonitrile were found to be 0.03–14.5, 0.08–13.8, and 0.07–18.8, respectively. Two linear ranges were found for determination of water (v/v %) in methanol (0.1–1.2 and 4.7–25.0). Detection limit (DL) values were calculated to be 0.001, 0.05, 0.004, and 0.01 (v/v %) in ethanol, methanol, acetonitrile, and DMSO, respectively. The proposed method overcomes the problems of the standard Karl Fischer method for determination of water in DMSO. In addition, it gave the best DL value for determination of water in ethanol compared with all published papers to date. [ABSTRACT FROM AUTHOR]

In this study, new six Pd-based complexes containing mixture N-heterocyclic carbene (NHC) and triphenylphosphine (PPh3) ligands were synthesized from the reaction of the (NHC)PdI2(pyridine) with PPh3. The new (NHC)PdI2(PPh3) complexes were characterized using FTIR, 1H-NMR, 13C-NMR, and 31P-NMR spectroscopy and elemental analyses techniques. These spectra are consistent with the proposed formula. Molecular and crystal structure of two complexes was obtained using single-crystal X-ray diffraction method. Based on the crystal results, a cis geometry was assigned to all the complexes. These new complexes have been examined as the catalyst in the Sonogashira cross-coupling reaction. The catalytic conversions of the complexes were obtained between 71 and 99% from the reaction of phenylacetylene and aryl bromides. Also, these new complexes have been examined as the catalyst in the Mizoroki–Heck cross-coupling reaction. The catalytic conversions of the complexes were obtained between 80 and 100% from the reaction of styrene and aryl bromides. [ABSTRACT FROM AUTHOR]

The structure of the title compound, [CsPd(C3H6NO3)Cl2]n, previously shown to have anticancer activity in rodent test systems and recently found to have antifungal activity, has been determined. The Pd centre is in a square-planar coordination environment with two chlorine atoms in cis positions and the remaining two coordination sites being coordinated by N and O atoms from deprotonated l-serine. Each of the Cs cations shows ninefold coordination with six chlorine and three O atoms resulting in a coordination environment that is similar to the well known Cs2SO4 structure. X-ray crystal structures of only three dichloridopalladium(II)–amino acid complexes have been determined so far and the present paper describes one of those.

Primary thioamide, 2-pyridinethioamide reacts with palladium and platinum compounds K 2 PdCl 4 , K 2 PtCl 4 and Pd(CH 3 COO) 2 to give the products [PdCl 2 (2-pyridinethioamide)].2DMF (1), [PtCl 2 (2-pyridinethioamide)] (2a), [Pd(2-pyridinethioamide) 2 ]Cl 2 (3), [Pt(2-pyridinethioamide) 2 ]Cl 2 (4) and [Pd(2-pyridinethioamidinate) 2 ] (5), respectively. The structures 1 , [PtCl(DMSO)(2-pyridinethioamidinate)] (2b), which was obtained from crystallization of 2a in DMSO, 4 and 5 were determined by X-ray crystallography. Compound 3 was spectroscopically analyzed and found to have a structure similar to that of 4. The ligand coordinates in a neutral form in complexes 1 , 2a , 3 and 4 , but in 2b and 5 it exists in a deprotonated form. Compounds 3 and 4 are cationic complexes with Cl− counterions in the structure. The ligand prefers coordination as the bidentate N(py),S-mode in all the crystallized compounds. In the bis -chelates, the sulfur and the nitrogen atoms are mutually trans -located. Computational DFT calculations and topological charge density analysis were utilized to clarify the coordination modes and to interpret the spectral information. New palladium and platinum complexes of primary 2-pyridinethioamide were structurally characterized. Supporting information was obtained from computational calculations. [Display omitted] • Palladium and platinum complexes of 2-pyridinethiamide ligand were synthesized. • X-ray diffraction and spectroscopic methods were used for characterization. • Computational DFT and TD-DFT studies were used to explain spectroscopic data. • DFT and QTAIM calculations were performed to clarify the coordination modes. [ABSTRACT FROM AUTHOR]

[Display omitted] • Synthesis of new schiff bases L1 and L2 and a palladium-schiff base complex [Pd(L1)Cl] with a low toxicity. • Study of the anticancer activity the synthesized compounds against four cancer cells. • Molecular docking simulation of the synthesized compounds. Herein, we present the synthesis and biological activity of novel Schiff bases, namely 2-(((2-((2-hydroxyethyl)amino)ethyl)imino)methyl)phenol (L1) and 4-bromo-2-(((2-((2-hydroxyethyl)amino)ethyl)imino)methyl)phenol (L2) , along with the corresponding palladium complex of L1 [N-(2-hydroxyethylamino)ethylsalicylaldiminato]-palladium(II) chloride] [Pd(L1)Cl]. Our study encompasses an evaluation of their acute toxicity and anticancer potential, as well as molecular docking simulations to elucidate their mechanisms of action. The compounds were characterized using various techniques, such as 1H NMR and 13C NMR. In addition, L2 was characterized using single-crystal X-ray diffraction (XRD). The toxicological results, along with biochemical and hematological analyses, revealed that a dose of 2 g/kg for L1 and 100 mg/kg for [Pd(L1)Cl] had no toxicological effects on mice. However, L2 displayed slightly higher toxicity, resulting in the death of a mouse at a dose of 2 g/kg, likely attributable to the presence of bromine. Notably, both the synthesized Schiff bases and the palladium complex exhibited cytotoxicity against four types of cancer cells: HT-1080, A-549, MCF-7, and MDA-MB-231 cell lines. Among them, the palladium complex demonstrated the most potent activity, with respective IC 50 values of 13.24 ± 1.21 , 25.24 ± 0.91 , 38.14 ± 1.19 , and 31.21 ± 2.56 µM against HT-1080, A-549, MCF-7, and MDA-MB-231. Investigating the mechanism of action of the highly cytotoxic compound [Pd(L1)Cl] , we found that it induced apoptosis by activating caspase-3/7 and caused G2/M−phase arrest while leading to the loss of mitochondrial membrane potential specifically in HT-1080 cells. [ABSTRACT FROM AUTHOR]

Telluro-substituted Schiff bases having different pendant alkyl chain and their Pd(II)-complexes have been synthesized and explored as catalysts for Suzuki and Heck coupling reactions. Their activity depends on the length of pendant alkyl chain and catalysis operated through cocktail like mechanism i.e. involvement of both homogeneous as well as heterogeneous process. The ligand L2 also showed a Smectic liquid crystalline phase. [Display omitted] • Tridentate (Te, N, O−) donor ligands (L1 / L2) and their Pd(II)-complexes [Pd(L1 / L2 –H)Cl] have been synthesized. • The catalytic potential of complexes 1 / 2 has been studied for Suzuki and Heck carbon–carbon coupling reactions. • Complex 2 has a larger alkyl chain and showed higher catalytic efficiency for Suzuki and Heck coupling reactions. • The large alkyl chain in complex 2 governs the formation of uniformly distributed Pd-NPs and hence the catalytic activity. • The PPh 3 -/Hg-poisoning and three-phase tests suggest the involvement of both homogeneous heterogeneous processes. Two telluro-substituted Schiff bases L1 / L2 having different pendant carbon chains (−Me in L1 and − C 10 H 21 in L2) and their corresponding square planar Pd(II)-complexes (1/2) have been synthesized and their structural characterization has been carried out using multinuclear NMR and elemental analysis. The ligand L2 showed a Smectic liquid crystalline phase and melts at 81 °C into isotropic liquid whereas L1 and complexes (1 / 2) did not show any liquid crystalline property. The square planar Pd(II)-complexes (1 / 2) have been formed through the coordination of ligands (L1 / L2) respectively in mono-anionic tridentate mode (Te,N,O−) and the fourth coordination sphere at the palladium center is occupied with chloride ion. Both complexes 1 / 2 (1 to 2 mol%) have been examined as a catalyst for Suzuki and Heck coupling reactions and their activity depends significantly on the length pendant alkyl chain. The results obtained from Hg-/PPh 3 -poisoning and three phase test on Suzuki-Miyaura coupling indicate the participation of both homogeneous as well as heterogeneous palladium species protected with the ligand or its fragment. [ABSTRACT FROM AUTHOR]

In this research, an investigation of the isomerization and the applications of 3-phospholene oxides were elaborated. The isomerization of 3-phospholene oxides to 2-phospholene oxides was investigated under thermal condition. The application of bases and acids was also tested in this reaction. Moreover, the isomerization was also elaborated via the formation of halophosphonium salt intermediates. The 3-phospholene oxides were deoxygenated and transformed to the corresponding palladium complexes. [ABSTRACT FROM AUTHOR]

Phenylethynyl palladium(II) complexes have proven to be effective catalysts for coordination polymerization of isocyanides. In this work, two new phenylethynyl palladium(II) initiators bearing bromide (1b) and iodide (1c) were synthesized and applied for living polymerization of aryl and alkyl isocyanides. The coordinated halogen anions can significantly influence the kinetics of polymerization, with the observed order of reaction rates being 1c (I)>1b (Br)>1a (Cl). Impressively, 1c not only accelerates the reaction rate in both the initiation stage and propagation stage, but also can polymerize less active monomers that cannot be reacted by 1a. DFT calculations were then employed to understand the detailed mechanism and the halogen effects in this insertion polymerization process. [ABSTRACT FROM AUTHOR]

A silylated derivative of 4‐phenyl‐dithieno[3,2‐b:2′,3′‐d]arsole (DTAs) was synthesized, and the effect of coordinating of DTAs compounds to Pd on their structural and optical properties was investigated. Coordination of the As to Pd was found to increase the structural aromaticity of the ring system as measured by the harmonic oscillator measure of heterocyclic electron delocalization (HOMHED), and the pyramidalization of the As atoms was also found to show a good correlation with the HOMHED values. However, coordination had a more subtle impact on the optical properties than seen for phosphorus‐containing analogues as the metal‐ligand interactions were weaker. The optical and structural effects of substituting dithienoarsole with silyl substituents were investigated. Silylation improved solubility sufficiently to allow a Pd complex of dithienoarsole to be obtained and characterized, and the optical properties of this complex are reported. [ABSTRACT FROM AUTHOR]

Graphical abstract Highlights • Synthesis of multi-dentate phosphines with good robustness against water and oxygen. • Tri-dentate phosphine for Pd-catalyzed alkoxycarbonylation of alkynes with H 2 O as additive. • Recyclability of Pd-catalyst modified by ionic tri-dentate phosphine in RTIL. Abstract A series of novel multi (bi-/tri-/tetra-)-dentate phosphines with good robustness against water and oxygen were synthesized and fully characterized. It was found that the developed ionic tri-dentate phosphine (L2′) enabled Pd-catalyzed alkoxycarbonylation of alkynes most efficiently while H 2 O was used as an additive instead of acid. As for L2′ , its unique steric configuration with two types of potential P-P chelation modes (P⋯P distance of 4.31 Å and 4.36 Å respectively) to Pd-centre rendered the corresponding Pd-catalyst high activity and good stability for alkoxycarbonylation of alkynes. The in situ FT-IR analysis also verified that the formation and stability of Pd–H active species were greatly facilitated with the presence of L2′ as well as H 2 O additive. In addition, as an ionic phosphine, L2′ based PdCl 2 (MeCN) 2 system immobilized in RTIL of [Bmim]NTf 2 could be recycled for 7 runs without obvious activity loss or metal leaching. [ABSTRACT FROM AUTHOR]

Graphical abstract The decomposition of [Pd(NH 3) 4 ][RuNO(NO 2) 4 OH] in hydrogen atmosphere up to 250 °C results in the formation of metastable solid solution Pd 0.5 Ru 0.5. In contrast to that [Pd(Py) 4 ][RuNO(NO 2) 4 OH] decomposes with the formation of separate metals. Abstract Two double complex salts containing [RuNO(NO 2) 4 OH]2− anion and [PdL 4 ]2+ cations (L = NH 3 , Py) were prepared and described by IR-spectroscopy, single crystal and powder XRD. The crystal structure of both compounds is composed by complex palladium cations and complex ruthenium anions. In case of [Pd(NH 3) 4 ][RuNO(NO 2) 4 OH] cations and anions are bounded by hydrogen bonds between NH 3 and NO 2 ligands. The thermal decomposition of the salts was examined in inert and reductive atmospheres. Both the complexes decompose in several stages, first stage according to IR spectroscopy is comprised with the cleavage of OH group of anion, further decomposition undergoes with the removal on NH 3 and NO 2 ligands. In case of [Pd(NH 3) 4 ][RuNO(NO 2) 4 OH] the final temperature of thermolysis in reductive atmosphere is 250–270 °C and the final product corresponds to metastable Pd 0.5 Ru 0.5 solid solution. The composition of metal solid solution was confirmed by XRD and EDX data. Electrochemical and catalytical properties of prepared solid solutions were examined. [ABSTRACT FROM AUTHOR]

Graphical abstract Highlights • Synthesis of Fe 3 O 4 @SiO 2 -Tet-Pd(II) using a simple method. • Characterization of catalyst by FT-IR, XRD, FESEM, EDS, TEM and TG-DTA. • Catalytic reduction of Cr(VI), 2,4-DNPH and 4-NP by Fe 3 O 4 @SiO 2 -Tet-Pd(II). Abstract In the present work, a new catalytic system based on palladium(II)-tetrazole complex immobilized on silica-coated Fe 3 O 4 (Fe 3 O 4 @SiO 2) nanoparticles ([Fe 3 O 4 @SiO 2 -Tet-Pd(II)]) is introduced. In the first stage, the geometry optimization and calculations of structural and electronic properties of molecular system 5-phenyl-1 H -tetrazole-Pd (II) complex have been carried out at UB3LYP/6-31G∗/LANL2DZ level of theory. Then, the [Fe 3 O 4 @SiO 2 -Tet-Pd(II)] was prepared via immobilizing 5-phenyl-1 H -tetrazole as a suitable ligand on the surface of Fe 3 O 4 @SiO 2 as a support. The [Fe 3 O 4 @SiO 2 -Tet-Pd(II)] as a novel magnetically catalyst was characterized by XRD, FT-IR, FE-SEM, EDS, TG-DTA and VSM. This heterogeneous catalytic system demonstrated high activity in the reduction of 2,4-dinitrophenylhydrazine (2,4-DNPH), 4-nitrophenol (4-NP) and Cr(VI) in the present of NaBH 4 as the reduction agent at room temperature and was reusable five times with no obvious decrease of catalytic activity. [ABSTRACT FROM AUTHOR]

Abstract A new complex N-(2-hydroxyethylamino)ethylsalicylaldiminato]-palladium(II) chloride [Pd(L)Cl] was synthesized by the reaction in ethanol of the Schiff base 2-(2-(2-hydroxyethylamino)ethylimino)methyl phenol (LH) and Li 2 PdCl 4. The complex was characterized by 1H NMR, 13C NMR, FT-IR and UV–Vis spectroscopic techniques. The structure of the complex was confirmed by single-crystal X-ray structure analysis. The electrochemical properties of PdCl 2 and [Pd(L)Cl] have been investigated by cyclic voltammetry. Additionally, the electronic structure, the solution spectrum and the redox property of [Pd(L)Cl] have been rationalized by DFT and TDDFT methods. Graphical abstract Image Highlights • New complex Palladium-Sciff base was synthesized. • Square-planar geometry with a tridentate ligand was confirmed by X-ray analysis. • Electronic and redox property of [Pd(L)Cl] is determined by DFT and TDDFT methods. • Electrochemical properties of the complex was investigated by cyclic voltammetry. [ABSTRACT FROM AUTHOR]