Search results for "kupari"

Synthesis, X-ray Crystal Structure and Antimicrobial Activity of Unexpected Trinuclear Cu(II) Complex from s-Triazine-Based Di-Compartmental Ligand v…

2019

The synthesis and X-ray crystal structure of the trinuclear [Cu3(HL)(Cl)2(NO3)(H2O)5](NO3)2 complex of the s-triazine-based di-compartmental ligand, 2-methoxy-4,6-bis(2-(pyridin-2-ylmsethylene)hydrazinyl)-1,3,5-triazine (H2L), are presented. The Cu1 and Cu2 are penta-coordinated with CuN3ClO coordination environment, distorted square pyramidal coordination geometry while Cu3 is hexa-coordinated with CuN2O4 coordination sphere, and distorted octahedral geometry. The complex crystallized in the primitive P-1 triclinic crystal system with two molecular units per unit cell. Its packing is dominated by the O–H (35.5%) and Cl–H (8.8%) hydrogen bonding interactions as well as the π–π stacking (2.3…

Solvent-dependent hypsochromic shift in the imidazole based complex [Cu(µ2-SO4)(Im)4] and ameliorative effects on breast cancer-induced bone metastas…

2023

A sulfate-bridged complex [Cu(µ2-SO4)(Im)4] (1) was prepared and structurally characterized, where Im: imidazole. The X-ray structure analysis reveals that 1 crystallizes in the monoclinic system with space group C2/c. The octahedral coordination around the metal center is made up of four distinct imine nitrogen atoms in the equatorial plane, and two sulfate oxygen atoms occupying the axial sites. The covalent linkage between metals via the sulfate group, forming infinite 1D zigzag chains, ensures the entanglement of the structure. These chains, in turn, are further assembled into a 2D network through N-H...O hydrogen bonding. Thermal analyses underline the high thermal stability of our com…

Synthesis of N‐Fused Indolines via Copper (II)‐Catalyzed Dearomatizing Cyclization of Indoles

2021

Advanced synthesis & catalysis 363(12), 3121-3126 (2021). doi:10.1002/adsc.202100290

Syntheses, characterization and properties of Cu(II)-, Mo(VI)- and U(VI) complexes with diaminotetraphenolate ligands

2013

The first copper(I)-olefin complexes bearing a 1,3,4-oxadiazole core: Alternating-current electrochemical crystallization, X-ray experiment and DFT s…

2017

By means of alternating-current electrochemical technique, four new π-complexes, namely [Cu2(C11H10N2OS)2Br1.91Cl0.09] (1), [Cu(C11H10N2OS)NO3] (2), [Cu2(C11H10N2OS)2(H2O)2](BF4)2 (3) and [Cu2(C11H10N2OS)2(H2O)2](ClO4)2 (4), were obtained using copper(II) salts and the 2-(allylthio)-5-phenyl-1,3,4-oxadiazole (C11H10N2OS) ligand. The metal and halogen centers in 1 form Cu2X2 dimers; the N-atom from the oxadiazole ring and the Cdouble bond; length as m-dashC bond of the allyl group from the same ligand complete the copper coordination environment, giving [Cu(C11H10N2OS)X]2 isolated fragments. The ligand plays the same chelating role in 2, whereas the O (NO3) atom occupies the third position i…

Molecular Complexes Featuring Unsupported Dispersion-Enhanced Aluminum–Copper and Gallium–Copper Bonds

2020

The reaction of the copper(I) β-diketiminate copper complex {(Cu(BDIMes))2(μ-C6H6)} (BDIMes = N,N′-bis(2,4,6-trimethylphenyl)pentane-2,4-diiminate) with the low-valent group 13 metal β-diketiminates M(BDIDip) (M = Al or Ga; BDIDip = N,N′-bis(2,6-diisopropylphenyl)pentane-2,4-diiminate) in toluene afforded the complexes {(BDIMes)CuAl(BDIDip)} and {(BDIMes)CuGa(BDIDip)}. These feature unsupported copper–aluminum or copper–gallium bonds with short metal–metal distances, Cu–Al = 2.3010(6) Å and Cu–Ga = 2.2916(5) Å. Density functional theory (DFT) calculations showed that approximately half of the calculated association enthalpies can be attributed to London dispersion forces. peerReviewed

Halogen Bonds in Square Planar 2,5-Dihalopyridine-Copper(II) Bromide Complexes

2018

Effect of atomic layer deposited zinc promoter on the activity of copper-on-zirconia catalysts in the hydrogenation of carbon dioxide to methanol

2023

Funding Information: The work at Aalto University has been financially supported by the Academy of Finland (COOLCAT consortium, decision no. 329977 and 329978 ; ALDI consortium, decision no. 331082 ). This work made use of Aalto University Bioeconomy, OtaNano and RawMatters infrastructure. Hannu Revitzer (Aalto University) is thanked for the ICP-OES analysis, Aalto workshop people (especially Seppo Jääskeläinen) for working on the reactor modifications. The DFT calculations were made possible by computational resources provided by the CSC — IT Center for Science, Espoo, Finland ( https://www.csc.fi/en/ ) and computer capacity from the Finnish Grid and Cloud Infrastructure (urn:nbn:fi:resear…

The role of oxidation treatments before and after CVD synthesis of graphene on copper catalytic surface

2021

Graphene is a sheet of honeycomb bonded carbon, that is only one atom thick. Aside from its remarkable strength, graphene has great conducting and photochemical prop erties. Due to its unique properties, it can be used as viable option for rare metals in circuits and in new type of measuring components. To express these properties at their best, graphene should be single crystal and as clean as possible. In this bachelor thesis, different treatment options for catalytic metal surface for graphene synthesis are studied in chemical vapor deposition growth. Different options to treat the catalytic metal layer were studied, such as changes in gas compositions in annealing process, electropolish…

Influence of a Cu–zirconia interface structure on CO2 adsorption and activation

2021

CO2 adsorption and activation on a catalyst are key elementary steps for CO2 conversion to various valuable products. In the present computational study, we screened different Cu–ZrO2 interface structures and analyzed the influence of the interface structure on CO2 binding strength using density functional theory calculations. Our results demonstrate that a Cu nanorod favors one position on both tetragonal and monoclinic ZrO2 surfaces, where the bottom Cu atoms are placed close to the lattice oxygens. In agreement with previous calculations, we find that CO2 prefers a bent bidentate configuration at the Cu–ZrO2 interface and the molecule is clearly activated being negatively charged. Strain…