Showing papers in "Polyhedron in 2023"

TL;DR: In this article , the authors explored the application of B36N36 fullerene as a drug delivery system for anti-cancer β-Lapachone drug based on the dispersion-corrected density functional theory calculations.

TL;DR: In this article , a tree-dimensional compound [C6H16N2 Co(NCS)4] is reported, which is made up of layers of cobalt (II) bridged by terminally bound thiocyanate-N ligand achieving distorted MN4 tetrahedron surroundings around the metal center.

TL;DR: A zinc metal organic framework nanofiber fluorescent membrane (Zn(Eu)[email protected] NFM) was prepared by doping the lanthanide metal Eu using an electrospinning and impregnation process as discussed by the authors .

TL;DR: Two coordination compounds, one nickel(II) complex [Ni(L1)(Phen)2]ClO4 (1) and one copper-II complex [Cu(L2)] (2), were synthesized using Schiff base ligands derived from the condensation reaction of 5-Bromo-salicylaldehyde with 3-picoyl amine (L1H), and the crystal structure of both the complexes was determined using Single Crystal structure analysis as mentioned in this paper .

TL;DR: In this paper , the X-ray crystallographic and NMR solution structures of the 1-metallo-2-t-butyl-1,2-dihydropyridyl (DHP) complexes of rubidium and caesium were reported.

TL;DR: In this article , the density functional theory (DFT) studies have been carried out for two complexes ClCo(dpgH)2(p-aminobenzoic acid) (2) and BrCo(cogioxioxime (cogoxime)2 (p-amide) (3) .

TL;DR: In this paper , a binuclear single molecule magnet with a large π-conjugated bridging ligand, [Dy2(hfac)6(tpphz)]·CH2Cl2 (1), has been prepared.

TL;DR: In this paper , the magnetocaloric properties of a 1, 3/2 and 5/2 mixed spin model on a square-hexagon-octagon (4-6-8) structure were investigated by Monte Carlo simulations.

TL;DR: In this article , a series of Cu(II) and Zn(II)-clique structures were constructed through the bridging croconate (C5O5) 2−, squarate (C4O4)2− and 2,5pyridine-dicarboxylate (Py2,5-dc)2 − dianions.

TL;DR: In this paper , the ability of the new furfurylamine-derived Schiff base ligand (E)-4-chloro-2-((((5-methylfuran-2yl)methyl)imino)methylphenol (CFMP) to recognize metal ions as a chemosensor has been studied.

TL;DR: In this paper , a new quasi-MIL-125(Ti) was synthesized at 340 °C under air atmosphere and considered as a high efficiency adsorbent for capturing cationic dyes.

TL;DR: In this paper , the authors reported four new heteroleptic Cu(II) complexes with the formula [Cu(bipy)(2H4MeBz)]NO3 (1), [cu(phen)( 2H4OcBz) NO3 (2), [Cu (bipyi)(2h4OocBz), NO3(3), and [cu (phen)(2 h4OccBz))NO3(4), where the ligands are 2-hydroxy-4-methoxybenzophenone (2H 4MeBZ), 2-2′-bipiridine (bippy) and 1,10-phenantroline (phen).

TL;DR: In this paper , a naphthalene-based schiff base was synthesized as a good "turn-on" fluorescent sensor for detecting Zn2+ in DMF/H2O solution.

TL;DR: In this paper , the effect of pressure on structural, electronic dispersion curves, optical and thermoelectric parameters of CsNbO3 cubic perovskite have been investigated by using the pseudopotential approach alongside the Boltzmann transport theory.

TL;DR: In this article , the synthesis of ruthenium compounds using IR and UV-Visible spectroscopy and elemental analysis is described, and the binding properties of the compounds are determined.

TL;DR: Ruthenium(II) carbonyl complexes with chromone Schiff base ligands of the type [RuCl(CO)(EPh3)(L)] (1-4) (E = P or As, L = 3-(benzothiazol-2-yl-hydrazonomethyl-chromen)-4-one (BTHC) or 3-(quinolin-2]-hexyl-hexyl)-chromen-4-1 (QHC) were formulated and subjected to micro we well as spectral analysis (IR, UV-Vis, 1H & 13C NMR and ESI mass) as mentioned in this paper .

TL;DR: In this paper , two organic-inorganic hybrid salts, (C6H9N2)2[Co(C2O4)2]·H2O (1) and (C5H7N2]2](H 2O)2 ] (2) have been obtained, which are characterized by the formation of one-dimensional chains of the anionic complexes.

TL;DR: In this article , the reaction of the flexible polydentate ligand octakis(3-pyridyloxy)cyclotetraphosphazene (O3PyCP) with AgNO3 afforded a new coordination polymer, [Ag2(O3PolyCP)](NO3)2]n (1), characterized by single-crystal X-ray crystallography and infrared spectroscopy.

TL;DR: In this paper , three tetranuclear lantharide-based compounds: [Ln4(dbm)4(L)6(μ3-OH)2]·CH3CN (LnIII = Eu (1), Tb (2) and Ho (3), HL = 5-(4-methylbenzylidene-8- hydroxyquinoline, dbm- = dibenzoylmethane) were fabricated and structurally characterized.

TL;DR: In this article , the authors discuss the inroads in the application of click chemistry in the synthesis of bidentate ligands for coordination chemistry and discuss the metal complexes from these ligands in catalysis.

TL;DR: A metal-organic framework involving a dicarboxylate (adipic acid) and dipyridylamine (dpya), [Cu2(dpya)(µ-adipate)].2ClO4·2H2O, has been synthesized by one-pot reaction and structurally characterized by X-ray diffraction as mentioned in this paper .

TL;DR: A polyoxomolybdate with a formula of (C7H15N4)2 [Co(H2O)6] [C6H12N2CoMo6O24]·4H 2O (1) was synthesized and then it was characterized using IR, EDX and X-ray crystallography as discussed by the authors .

TL;DR: In this article , a unique Zr-MOF-NH2 was created by combining a zirconium-based metal-organic framework, ZrMOF, with tryptophane.

TL;DR: In this article , the diaryl-azo-oxime ligands HL, 1 undergoes oxidative coordination reaction with Wilkinson's catalyst to form two isomeric complexes of type cis-[RhIIIL2Cl(PPh3)], 2a (Cl and PPh3 are cis) and trans-[RHIIIL 2Cl(pPh3), 2b where they are trans with respect to each other.

TL;DR: In this article , a review of thiosemicarbazone-based sensors developed using several methodologies, and mentioned their characteristics, performances, and applications in diverse settings.

TL;DR: In this article , the authors evaluated the possible cation-π features of infinitene towards one to four silver cations from density functional calculations and their role in the optical rotation of the infinity-shaped backbone.

TL;DR: In this paper , the structural and mechanical properties of new halide perovskites CsInTiX6 (X = Br, I and Cl) were investigated in terms of refractivity, refractive index and absorption coefficient to the power conversion efficiency.

TL;DR: In this paper , the authors reported the synthesis of homoleptic copper(I) complexes where the copper ion is coordinated by 1,10-phenanthroline derivatives, bearing floppy side chains in positions 2 and 9 and containing oxygen atoms.

TL;DR: In this article , three new coordination polymers (CPs) with main formulas [Mn2(DMSO)2(HL)] (1),[Mn10(DMA)(H2O)9(L)4·2DMA] (2) and [mn4(DDA)4(HL)2] (3) have been prepared and characterized.

TL;DR: In this article , the potential energy of surfaces of the Cu2+MeOHn=1-8 clusters in gas phase, temperature-dependence of the relative population, binding and clustering energies of the solvated Cu2+, ion in methanol using M06-2X DFT functional method associated with the 6-31++G** basis set.