Dppm Ligands Research Articles

Synthesis of the double spiked µ5-sulfide pentanuclear clusters using thermic reactions of Ru3-mercaptopyridine complexes

The treatment of [Ru3(CO)10(μ-dppm)] with 6-methyl-2-mercaptopyridine (1) or 5-trifluoromethyl-2-mercaptopyridine (2) in refluxing THF for 10 h results in the formation of μ5 sulfide-capped pentanuclear clusters [Ru5(CO)11(μ-H)(μ5-S){μ-κ2N,C-NC5H3(R)})(μ-κ2P2-dppm)2] (R = CH3, 3a, 3a'; R=CF3, 3b,3b') respectively. These compounds exhibit unique structural features, with a μ5-S capped binding trinuclear and dinuclear fragments. The mercaptopyridine ligands undergo S-C bond scission, forming an orthometalated pyridine ligand coordinated to a Ru-Ru bond with a concomitant μ-hydride ligand formation. The structures also feature two dppm ligands, one in the Ru-Ru, which bears the μ-H, and the other bridging the Ru-Ru bond with the orthometallated pyridine. In solution, linkage isomers were observed; they differ in the coordination position of the orthometallated pyridine bonded to the same Ru-Ru bond. A single-crystal X-ray diffraction study confirmed the molecular structures of compounds 3a and 3b. NMR, IR, and HRMS were also carried out.

Tri and hexaosmium clusters bearing saccharinate and diphosphine ligands: Synthesis, structure and fluxionality

The reactivity of saccharinate-bridged triosmium cluster [Os3(CO)10(μ-H)(μ-sac)] (1) with two diphosphines namely bis(diphenylphosphino)methane (dppm) and 1,1′-bis(diphenylphosphino)ferrocene (dppf) have been investigated. Cluster 1 reacts with dppm in refluxing toluene to yield triosmium [Os3(CO)9(κ1-dppm)(μ-H)(μ-sac)] (2), [Os3(CO)9(κ1-dppm)(μ-H)(μ-sac)] (3) and [Os3(CO)8(µ-dppm)(μ-H)(µ-sac)] (4) along with the hexaosmium [{Os3(CO)9(μ-H)(µ-sac)}2(κ2-dppm)] (5). The dppm ligand acts as a monodentate ligand in 2 and 3 by coordinating to a single osmium, while it bridges an osmium-osmium edge in 4 and connects to triosmium units in 6. A similar reaction with dppf furnishes [Os3(CO)9(κ1-dppf)(μ-H)(μ-sac)] (6), [Os3(CO)8(µ-dppf)(μ-H)(μ-sac)] (7) and [{Os3(CO)9(μ-H)(µ-sac)}2(κ2-dppf)] (8) which are dppf analogues of 3–5, respectively. Control experiments confirms that 3 is the precursor of 4 and 5, while 6 is the precursor of 7 and 8. All the products are formed via substitution of carbonyl by the diphosphine, and have been characterized by analytical and spectroscopic data. The molecular structures of 2 and 4–7 have been determined by X-ray crystallography. Cluster 7 shows fluxional behavior in solution at room temperature, and its fluxionality has been probed by VT NMR experiments.

Reactivity of Schiff base-[C,N,S] pincer palladacycles: hydrolysis renders singular trinuclear, tetranuclear, and heteropentanuclear Pd3W2 coordinated complexes.

Treatment of the Schiff base ligands a-f with Li2[PdCl4]/NaAcO in methanol under reflux gave the single nuclear palladacycles 1a-1f, with the metal atom bonded to a terdentate monoanionic [C,N,S] iminic ligand and to a chloride ligand that completes the palladium coordination sphere. Reaction of 1a-1c with silver perchlorate/triphenylphosphine in acetone at room temperature yielded the single nuclear complexes 2a-2c as the perchlorate salts, after substitution of the chloride ligand by a triphenylphosphine. However, reaction of a-c with Na2[PdCl4]/NaAcO in methanol at room temperature also gave compounds 1a-1c albeit contaminated with small amounts of the corresponding free aldehyde (mixture A). Reaction of mixture A with silver perchlorate/triphenylphosphine in acetone at room temperature gave analogously 2a-2c with some of the corresponding free aldehyde (mixture B). Attempts to purify mixtures A and B via recrystallization produced single crystals of 5 and 6 respectively: two serendipitously formed complexes, bearing thiomethyl aniline and/or acetate ligands, and void of aldehyde or iminic residue; the structures contain eight- and six-membered rings of alternating palladium and nitrogen atoms, respectively. To clarify this situation the aniline itself was reacted with palladium(II) acetate or with Na2[PdCl4]; in the latter case after recrystallization a unique behavior is revealed, giving rise to a tetranuclear complex containing a Pd4N4 ring with three differing coordination environments on the palladium atoms. Treatment of 1d with Ph2PCH2PPh2 (dppm)/AgClO4 or with Ph2PCH2(PPh2)W(CO)5/AgClO4 gave 3d, with a mono-coordinated dppm ligand, and 4d, respectively; complex 3d could not be converted into 4d by reaction with W(CO)5(THF). Recrystallization of 4d gave a still further noticeable species, complex 8: a pentanuclear trans-configured heterometallic mixed valent Pd(II)/W(0) linear complex with the palladium atoms supported by two acetate and two thiomethyl aniline bridging ligands. The complexes were fully characterized by microanalysis, IR, 1H, and 31P NMR spectroscopies, as appropriate. The X-ray single-crystal analyses for compounds 1b, 5, 6, 7 and 8 are described.

Luminescent Heterobimetallic PtII-AuI Complexes Bearing N-Heterocyclic Carbenes (NHCs) as Potent Anticancer Agents.

This study aims to probe into new series of heterobimetallic PtII-AuI complexes with a general formula of [Pt(p-MeC6H4)(dfppy)(μ-dppm)Au(NHC)]OTf, NHC = IPr, 2; IMes, 3; dfppy = 2-(2,4-difluorophenyl)pyridinate; dppm = 1,1-bis(diphenylphosphino)methane, which are the resultant of the reaction between [Pt(p-MeC6H4)(dfppy)(κ1-dppm)], 1, with [AuCl(NHC)], NHC = IPr, B; IMes, C, in the presence of [Ag(OTf)]. In the heterobimetallic complexes, the dppm ligand is settled between both metals as an unsymmetrical bridging ligand. Several techniques are employed to characterize the resulting compounds. Moreover, the photophysical properties of the complexes are investigated by means of UV-vis and photoluminescence spectroscopy. Furthermore, the experimental study is enriched by ab initio calculations (density functional theory (DFT) and time-dependent DFT (TD-DFT)) to assess the role of Pt and Au moieties in the observed optical properties. It is revealed that 1-3 is luminescent in the solid state and solution at different temperatures. In addition, the achieved results indicate the emissive properties of 1-3 are originated from a mixed 3IL/3MLCT excited state with major contribution of intraligand charge transfer (dfppy). A comparative study is conducted into the cytotoxic activities of starting materials and 1-3 against different human cancer cell lines such as the pancreas (MIA-PaCa2), breast (MDA-MB-231), cervix (HeLa), and noncancerous breast epithelial cell line (MCF-10A). The achieved results suggest the heterobimetallic PtII-AuI species as optimal compounds that signify the existence of cooperative and synergistic effects in their structures. The complex 3 is considered as the most cytotoxic compound with the maximum selectivity index in our screened complex series. Moreover, it is disclosed that 3 effectively causes cell death by inducing apoptosis in MIA-PaCa2 cells. Furthermore, the finding results by fluorescent cell microscopy manifest cytoplasmic staining of 3 rather than nucleus.

Superatom Pruning by Diphosphine Ligands as a Chemical Scissor.

A two-electron silver superatom, [Ag6{S2P(OiPr)2}4(dppm)2] (1), was synthesized by adding dppm (bis(diphenylphosphino)methane) into [Ag20{S2P(OiPr)2}12] (8e). It was characterized by single-crystal crystallography, multinuclear NMR spectroscopy, electrospray ionization-mass spectrometry, density functional theory (DFT), and time-dependent DFT calculations. The added dppm ligands, which carry out the nanocluster-to-nanocluster transformation, act as a chemical scissor to prune the nanocluster geometrically from an icosahedron-based Ag20 nanocluster (NC) to an octahedral Ag6 NC and electronically from eight-electron to two-electron. Eventually, dppm was involved in the protective shell to form a new heteroleptic NC. The temperature-dependent NMR spectroscopy confirms its fluxional behavior, showing the fast atomic movement at ambient temperature. Compound 1 exhibits a bright yellow emission under UV irradiation at ambient temperature with a quantum yield of 16.3%. This work demonstrates a new methodology to achieve nanocluster-to-nanocluster transformation via stepwise synthesis.

Aligning π-Extended π-Deficient Ligands to Afford Submicrosecond Phosphorescence Radiative Decay Time of Mononuclear Ir(III) Complexes

Herein, we report a profound investigation of the photophysical properties of three mononuclear Ir(III) complexes fac-Ir(dppm)3 (Hdppm-4,6-bis(4-(tert-butyl)phenyl)pyrimidine), Ir(dppm)2(acac) (acac-acetylacetonate), and Ir(ppy)2(acac) (Hppy-phenylpyridine). The heteroleptic Ir(dppm)2(acac) is found to emit with efficiency above 80% and feature a remarkably high rate of emission. As measured under ambient temperature, Ir(dppm)2(acac) emits with the unusually short (sub-μs) radiative decay time of τr = τem/ΦPL = 1/kr = 0.91 μs in degassed toluene and τr = 0.73 μs in a doped polystyrene film under nitrogen. Investigations at cryogenic temperatures in glassy toluene showed that the emission stems from the T1 state and thus represents T1 → S0 phosphorescence with individual decay times of the T1 substates of T1,I = 66 μs, T1,II = 7.3 μs, T1,III = 0.19 μs, and energy gaps between the substates of ΔE(T1,II-T1,I) = 14 cm-1 and ΔE(T1,III-T1,I) = 210 cm-1. Analysis of the electronic structure of Ir(dppm)2(acac) showed that such a high rate of phosphorescence may stem from the two dppm ligands, with extended π-conjugation system and π-deficient character due to the pyrimidine ring, being serially aligned along one axis. Such alignment, along with the quasi-symmetric character of Jahn-Teller distortions in the T1 state, affords a large chromophore, comprising four (het)aryl rings of the two dppm ligands. This affords an exceptionally large oscillator strength of the MLCT-character singlet state spin-orbit coupled with the T1 state and thus brings about enhancement of the phosphorescence rate. These findings reveal molecular design principles paving the way to new phosphors of enhanced emission rates.

Toxicity and autophagy effects of fluorinated cycloplatinated(II) complex bearing dppm ligand on cancer cells in in-vitro culture and in-silico prediction.

Toxicity and autophagy effects of a new complex of platinum II (CPC) were evaluated on HeLa cells cultured on a PCL/gelatin electrospinning scaffold. HeLa cells were treated with CPC on the first, third, and fifth days and the concentration of IC50 was determined. The autophagic and apoptotic effects of CPC were examined by MTT assay, Acridine Orange, Giemsa, DAPI, MDC, real-time PCR, Western blot testing, and molecular docking. The cell viability was obtained on days 1, 3, and 5 as much as 50, 7.28, and 19%, respectively with a concentration of IC50 (100μM) of CPC. The staining results indicated that the treatment of HeLa cells with CPC had antitumor and autophagic effects. Results of RT-PCR showed that the expression of BAX, BAD, P53, and LC3 genes was significantly increased in the sample treated with IC50 concentration compared to the control sample whereas the expression of BCL2, mTOR, and ACT genes in cells was significantly decreased compared to the control group. Also, these results were confirmed by Western blotting. The data indicated the induction of apoptotic death and autophagy in the studied cells. The new compound of CPC has antitumor effects.

Spectroscopic, structural and computational studies of thiophenolato bridged dirhenium(III,III) complexes

Thiophenol (HLH), 4-methylthiophenol (HLMe) and 4-chlorothiophenol (HLCl) react with dirhenium(III,II) complex [Re2(µ-O2CCH3)Cl4(µ-dppm)2] (1) (dppm = Ph2PCH2PPh2) in refluxing dry toluene to afford the diamagnetic Re2 6+ complexes of the type [Re2(μ-LR)2Cl4(μ-dppm)2] (2(LR)) [LR = C6H5S–, p-MeC6H4S– and p-ClC6H4S–]. These are the first examples of thiophenolato bridged dirhenium complexes with a Re2 6+ core containing dppm ligand. The spectral properties of the complexes are reported. In the electrochemical experiment, the type 2(LR) complexes show one quasi-reversible one-electron oxidation and one-electron reduction waves. The identity of 2(LMe) has been established by single-crystal X-ray structure determination (Re–Re distance = 2.6178(5) Å) and is shown to have an edge-shared bi-octahedral structure. DFT analysis shows that the highest occupied molecular orbitals are mainly composed of metal δ-based orbitals whereas the lowest unoccupied molecular orbitals are metal π*-based orbitals and the electronic ground state for the 2(LR) complexes is σ2π2δ*2δ2. Time-dependent DFT (TD-DFT) analysis shows that the sharp peak at 455 nm in the experimental UV-vis spectrum is mainly due to the [Cl(π)]→[Re2(π*)] transition.

Synthesis of Highly Accessible and Reactive Sites in Gold Nanoparticles Using Bound Bis(Diphenylphosphine) Ligands.

While bound organic ligands provide steric protection against aggregation for metallic nanoparticles in solution, they can block a large fraction of the surface atoms which are needed for binding in catalysis and sensing applications. In this work, highly accessible Au nanoparticles ligated with bis(diphenylphosphine) molecules are synthesized and characterized in solution. Characterization is performed using high angle annular dark field-scanning transmission electron microscopy (HAADF-STEM), ultraviolet-visible (UV-Vis) spectroscopy, and fluorescence chemisorption experiments. These synthesized nanoparticles are accessible to a 2-napthalenethiol (2-NT) probe molecule in solution. The highest 2-NT accessibility is observed when using 1,1-bis(diphenylphosphino)methane (dppm) ligand where 61 % of the total gold atoms are accessible. It is hypothesized that increasing the rigidity of the bis(diphenylphosphine) ligand increases the number of binding sites on the Au nanoparticles. These nanoparticles are catalytically active for resazurin reduction, and the resazurin reduction rate scales with the number of binding sites.

Diphosphine modified copper(I)-thiacalixarene supramolecular structure for effective photocurrent response and photodegradation of methylene blue

In this paper, a diphosphine ligand modified copper(I)-thiacalixarene compound, [Cu2(TC4A)(dppm)]·2H3O+·2MeCN (1) (H4TC4A = p-tert-butylthiacalix[4]arene, dppm = 1, 1-bis(diphenylphosphine)methane), was obtained by the assembly of Cu(OAc)2·H2O, H4TC4A and dppm in a mixed solution of acetonitrile and dichloromethane. Compound 1 was well defined. Single crystal X-ray diffraction analysis shows the central skeleton of 1 has two copper atoms, one TC4A4− ligand and one dppm ligand. Compound 1 was characterized by 1H and 31P NMR, Fourier transform infrared (FT-IR), X-ray photoelectron (XPS), ultraviolet–visible (UV–Vis) absorption and diffuse reflection spectra, together with thermogravimetric (TG) analysis. Furthermore, the luminescence, photocurrent response characteristic, photocatalytic performance and electrochemistry of 1 have been investigated. Compound 1 has better photo-induced electron/hole pair generation and separation efficiency in an FTO electrode. The degradation rate of methylene blue (MB) with the addition of 1 was approximately 88%, which was significantly higher than that without the catalyst within 300 min. These results indicate that compound 1 has good light-emitting and photoelectric properties and will be a potential semiconductor material.

Regulation of Surface Structure of [Au9Ag12(SAdm)4(Dppm)6Cl6](SbF6)3 Nanocluster via Alloying.

Tailoring of specific sites on the nanocluster surface can tailor the properties of nanoclusters at the atomic level, for the in-depth understanding of structure and property relationship. In this work, we explore the regulation of surface structure of [Au9Ag12(SAdm)4(Dppm)6Cl6](SbF6)3 nanocluster via alloying. We successfully obtained the well-determined tri-metal [Au9Ag8@Cu4(SAdm)4(Dppm)6Cl6](SbF6)3 by the reaction of [Au9Ag12(SAdm)4(Dppm)6Cl6](SbF6)3 with the CuI(SAdm) complex precursor. X-ray crystallography identifies that the Cu dopants prioritily replace the position of the silver capped by Dppm ligand in the motif. The Cu doping has affected the optical properties of Au9Ag12 alloy nanocluster. DPV spectra, CD spectra and stability tests suggest that the regulation of surface structure via Cu alloying changes the electronic structure, thereby affecting the electrochemical properties, which provides insight into the regulation of surface structure of [Au9Ag12(SAdm)4(Dppm)6Cl6](SbF6)3 via alloying.

Characterization of metal – metal and metal – ligand interactions in binuclear MnPt vinylidene complexes by molecular orbital and charge density analyses

Density functional theory and the extended charge decomposition analysis (ECDA), the natural population analysis (NPA) as well as the quantum theory of atoms in molecules (QTAIM) were used to gain insight into the nature of metal–metal and metal–ligand interactions in binuclear manganese–platinum vinylidene complexes with phosphine ligands at the Pt atom: Cp(CO)2MnPt(μ-C=CHPh)(P-P) (1 P-P=(PPh3)2, 2 P-P=dppm). The complexes 1 and 2 can be represented as π-complexes of the Pt-phosphine moiety (M) with the metalla-allene ligand Cp(CO)2Mn=C=CHPh (L). The substitution of PPh3 groups at the Pt atom by dppm ligand leads to a growth of the L ← M back-interaction as the result of approaching the CO group at the Mn atom to the Pt atom induced by the decrease in steric disincentives caused by phosphine ligands. Topological analysis of the charge density points to the indirect metal – metal bonding mediated by a couple of the 2e-2c metal –carbon interactions and the semi-bridging coordinated carbonyl group.

Palladium(II)-salicylanilide complexes as antibacterial agents: Synthesis, spectroscopic, structural characterization, DFT calculations, biological and in silico studies

Palladium(II)-Salicylanilide complexes of the type [Pd(κ2-Saln)2] (1), [Pd(κ2-Saln)2(diphos)] (2-6) (diphos = dppe, dppp, dppb, dppf, and dppmS2) and [Pd(κ2-Saln)2(μ-dppm)] (7) were synthesized and characterized. The salicylanidate ligand (Saln−) was bonded as bidentate chelating through the O atoms of hydroxyl and carbonyl groups in complex (1), whereas coordinated as monodentate through the O atom of hydroxyl group in complexes (2-7), and the all diphosphine ligands except dppm bonded as bidentate chelating to afford a square planner geometry around the Pd(II) ion. The dppm ligand was coordinated as bidentate bridging to afford binuclear complex. The prepared complexes displayed respectable activity against the pathogen bacteria species. Complex (5) showed the highest inhibition value against all types of bacteria, compared to the other complexes and the free ligand. On the other hand, the complex [Pd(Saln)2], showed the lowest inhibition against all types of bacteria. And the inhibition sequence of complexes is as following: (5) > (4) > (2) > (3) > HSaln > (1)Calculations of density function theory (DFT) were performed at the B3LYP/6-311G(d,p) level involved in the Gaussian 09 program to inspect the optimized structures of the chelating agent and its complexes. Docking study of the ligand was performed against the proteins of bacterial strains Pseudomonas aeruginosa (ID: 3P3E), Escherichia coli (ID: 1C14), Staphylococcus aureus (ID: 3BL6), and Salmonella typhimurium (ID: 3V7F) by Auto-Dock tools to portend the best binding mode.

Novel dirhenium(III,III) complexes with bridging diphenylphosphinomethane and dithiocarbamato ligands: A combined experimental and theoretical study

Sodium salts of dimethyldithiocarbamate (LMe), diethyldithiocarbamate (LEt) and pyrrolidinedithiocarbamate (LPyr) react with the double-bonded diamagnetic dirhenium(III,III) complex Re2(μ-dppm)2(μ-Cl)2Cl4 (1) (dppm = Ph2PCH2PPh2) in refluxing ethanol to afford the diamagnetic substitution products of the type [Re2(µ-dppm)(η2-LR)2(µ-η2-LR)2](PF6)2, where LR represents the dithiocarbamato ligands [LR = S2CNMe2, 2(LMe); S2CNEt2, 2(LEt) and S2CN(CH2)4, 2(LPyr)]. The complexes were isolated as hexafluoridophosphate salts. These are the first examples of dirhenium(III,III) complexes that contain bridging dithiocarbamato ligand along with the dppm ligand. The spectral and electrochemical properties of the complexes are reported. The identity of 2(LMe) and 2(LEt) was established by single crystal X-ray structure determination (Re─Re distance ~ 2.55 Å) and is shown to have edge-shared bioctahedral structure. The electronic structure and the absorption spectra of the complexes are scrutinized by the density functional theory (DFT) and time-dependent density functional theory (TD-DFT) analyses. DFT analysis shows that the highest occupied molecular orbitals are mainly metal δ* based orbitals. The complex 2(LEt) was tested for its ability to exhibit DNA-binding activity. The antifungal activity of the complex 2(LEt) was also determined against the fungal pathogen Colletotrichum gloeosporioides (CG).

Anti-melanoma effect of ruthenium(II)-diphosphine complexes containing naphthoquinone ligand

The use of natural products as potential ligands has been explored as a strategy in the development of metal-based chemotherapy. Since ruthenium complexes are promising alternatives to traditional antitumor agents, this study evaluated the anti-melanoma potential of two ruthenium(II) complexes containing the naphthoquinone ligands lapachol (lap), [Ru(lap)(dppm)2]PF6, and lawsone (law), [Ru(law)(dppm)2]PF6, in addition to the bis(diphenylphosphino)methane (dppm) ligand, referred to as complexes (1) and (2), respectively, using a syngeneic murine melanoma model. Activation of the apoptotic pathway by the treatments was assessed by immunohistochemistry in tumor tissue. Additionally, toxicity of the treatments was evaluated by variation in body and organ weight, quantification of biochemical indicators of renal damage, and genotoxicity in bone marrow and hepatocytes. First, the antiproliferative activity of (1) and (2) was observed in B16F10 cells, with IC50 values of 2.78 and 1.68 μM, respectively. The results obtained in mice showed that, unlike complex (1), (2) possesses significant anti-melanoma activity demonstrated by a reduction in tumor volume and mass (88.42%), as well as in mitosis frequency (83.86%). Additionally, complex (2) increased the levels of cleaved caspase-3, inducing tumor cell apoptosis. When compared to the metallodrug cisplatin, complex (2) exhibited similar anti-melanoma activity and lower toxicity considering all parameters evaluated. In silico studies demonstrated no difference in the binding energy of the naphthoquinone complex between complexes (1) and (2). However, the complex containing the lawsone ligand has a lower molar volume, which may be important for interactions with minor DNA grooves. The present results demonstrate the antitumor efficiency of complex (2) and a significantly lower systemic toxicity compared to cisplatin.

Efficient copper-catalyzed synthesis of C3-alkylated indoles from indoles and alcohols

A highly efficient copper(II) catalyst system for alkylation of indoles with alcohols via hydrogen borrowing method has been developed to afford C3-alkylated indoles in good to excellent yields. Cu(OAc)2 in the combination with dppm ligand has been found to be the most suitable catalyst system for this alkylation reaction.

New mix-ligand copper(i) and copper(ii) pyrazolate complexes with 2,2′-bipyridine

The reaction of the trinuclear copper( i ) 3,5-bis(trifluoromethyl) pyrazolate with 2,2′-bipyridine on contact with air leads to the oxidation of Cu centers and affords trinuclear Cu ii complex containing bridged pyrazolate OH anions and chelating bipy ligands. Carrying out the reaction in the presence of dppm prevents oxidation and gives dinuclear copper( i ) complex with bridging dppm and pyrazolate ligands, and chelating bipy ligand. This complex exhibits red-orange phosphorescence originating from the 3MLbipyCT state.

Synthesis, crystal structure and Hirshfeld surface analysis of [bis-(di-phenyl-phosphan-yl)methane-κP]chloridobis-[2-(pyridin-2-yl)phenyl-κ2 N,C 1]iridium(III).

The title IrIII complex, [Ir(C11H8N)2Cl(C25H22P2)], was synthesized from the substitution reaction between the (ppy)2Ir(μ-Cl)2Ir(ppy)2 (ppy = deprotonated 2-phenyl-pyridine, C11H8N-) dimer and 1,1-bis-(di-phenyl-phosphan-yl)methane (dppm, C25H22P2) under an argon gas atmosphere for 20 h. The IrIII atom is coordinated by two C,N-bidentate ppy anions, a unidentate dppm ligand and a chloride anion in a distorted octa-hedral IrC2N2PCl arrangement. The N donor atoms of the ppy ligands are mutually trans while the C atoms are cis. Intra-molecular aromatic π-π stacking between the phenyl rings of ppy and dppm, and C-H⋯Cl inter-actions are observed. In the crystal, C-H⋯Cl and C-H⋯π contacts link the mol-ecules into a three-dimensional network. A Hirshfeld surface analysis was carried out to further qu-antify the inter-molecular inter-actions, and indicated that H⋯H contacts (63.9%) dominate the packing.

Autophagy Effects of Fluorinated Cycloplatinated(II) Complex Bearing Dppm Ligand on Cancer Cells in In-Vitro Culture and In-Silico Prediction

Autophagy Effects of Fluorinated Cycloplatinated(II) Complex Bearing Dppm Ligand on Cancer Cells in In-Vitro Culture and In-Silico Prediction

Palladium(II)-Salicylanilide Complexes, Spectroscopic, Biological, DFT Calculations and in Silico Studies

Palladium(II)-Salicylanilide complexes of the type [Pd(k2-Saln)2] (1), [Pd(k2-Saln)2(diphos)] (2-6) (diphos = dppe, dppp, dppb, dppf, and dppmS2) and [Pd(k2-Saln)2(m-dppm)] (7) were synthesized and characterized. The salicylanidate ligand (Saln-) was bonded as bidentate chelating through the O atoms of hydroxyl and carbonyl groups in complex (1), whereas coordinated as monodentate through the O atom of hydroxyl group in complexes (2-7), and the all diphosphine ligands except dppm bonded as bidentate chelating to afford a square planner geometry around the Pd(II) ion. The dppm ligand was coordinated as bidentate bridging to afford binuclear complex. The prepared complexes displayed respectable activity against the pathogen bacteria species. Complex (5) showed the highest inhibition value against all types of bacteria, compared to the other complexes and the free ligand. On the other hand, the complex [Pd(Saln)2], showed the lowest inhibition against all types of bacteria. And the inhibition sequence of complexes is as following:(5) > (4) > (2) > (3) > HSaln > (1)Calculations of density function theory (DFT) were performed at the B3LYP/6-311G(d,p) level involved in the Gaussian 09 program to inspect the optimized structures of the chelating agent and its complexes. Docking study of the ligand was performed against the proteins of bacterial strains Streptococcus pyogenes (ID: 5GOT), Escherichia coli (ID: 1C14), Staphylococcus aureus (ID: 3BL6), and Salmonella typhimurium (ID: 3V7F) by Schrodinger suite program using XP glide protocol.