Novel monodentate phosphorus ligands containing the 1,1'-spirobiindane backbone have been synthesized and applied in the asymmetric rhodium-catalyzed hydrogenation of functionalized olefins, providing excellent enantioselectivities (up to 99.3% ee).
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Identification of novel triazolylquinoxaline-based metal complexes supported by experimental and virtual screenings.
Dalton Trans
January 2025
Institute of Biological and Chemical Systems (IBCS-FMS), Karlsruhe Institute of Technology, Kaiserstraße 12, 76131 Karlsruhe, Germany.
The formation of novel complexes from so far non-investigated ligands and different metal centers is important for the development of new functional materials such as (photo)catalysts or biologically active compounds. Still, promising strategies to quickly and systematically investigate the complexation behavior of selected ligands are rare. We developed an NMR-based screening approach to monitor changes within reaction mixtures containing metals and ligands on a small scale a simple but reliable protocol.
View Article and Find Full Text PDFSynthesis, crystal structure, Hirshfeld surface analysis and DFT calculations of the coordination compound tetra-aqua-bis-{2-[(5-methyl-1,3,4-thia-diazol-2-yl)sulfan-yl]acetato-κ}cobalt(II).
Acta Crystallogr E Crystallogr Commun
January 2025
A novel coordination compound, [Co()(HO)], was synthesized from aqueous solutions of Co(NO) and the ligand 2-[(5-methyl-1,3,4-thia-diazol-2-yl)sulfan-yl]acetic acid (H, CHNOS). In the monoclinic crystals (space group 2/), the cobalt(II) ion is located about a centre of symmetry and is octa-hedrally coordinated by two anions in a monodentate fashion through carboxyl O atoms and by four water mol-ecules. A relatively strong hydrogen bond between one of the water mol-ecules and the non-coordinating carboxyl-ate O atom consolidates the conformation.
View Article and Find Full Text PDFGenerating Strong Metal-Support Interaction and Oxygen Vacancies in Cu/MgAlO Catalysts by CO Treatment for Enhanced CO Hydrogenation to Methanol.
ACS Appl Mater Interfaces
January 2025
Department of Chemical Engineering, and Guangdong Provincial Key Laboratory of Materials and Technologies for Energy Conversion (MATEC), Guangdong Technion Israel Institute of Technology (GTIIT), Guangdong 515063, China.
Strong metal-support interactions (SMSIs) are essential for optimizing the performance of supported metal catalysts by tuning the metal-oxide interface structures. This study explores the hydrogenation of CO to methanol over Cu-supported catalysts, focusing on the synergistic effects of strong metal-support interaction (SMSI) and oxygen vacancies introduced by the CO treatment to the catalysts on the catalytic performance. Cu nanoparticles were immobilized on Mg-Al layered double oxide (LDO) supports and modified with nitrate ions to promote oxygen vacancy generation.
View Article and Find Full Text PDFMagnetic Isolation of the Linear Trinuclear Anion in [Cu(Him)] {Cu(Him)[Cu(μ-EDTA)(Him)]}·6HO (1) as the Novel Imidazolium(+) Salt (Him)[Cu(Him){(µ-EDTA)Cu(Him)}]·2HO (2)-A Comparative Look to Their Crystal Structures, Thermal, Spectral and Magnetic Properties and DFT Calculations.
Int J Mol Sci
December 2024
Department of Inorganic Chemistry, Faculty of Pharmacy, University of Granada, 18071 Granada, Spain.
Article Synopsis
- The study focuses on synthesizing and analyzing the structure of a compound featuring imidazolium ions as countercations, based on previously known crystal structures.
- Various techniques, including thermal stability assessments and spectral analysis, reveal differences in how the pentadentate chelator µ-EDTA interacts with copper centers in two different compounds.
- The findings highlight the impact of imidazolium ions on the magnetic properties and stability of the structures, supported by DFT calculations showing significant hydrogen bonding and stacking interactions within the trinuclear anion.
Novel Zn(II), Co(II) and Cu(II) diflunisalato complexes with neocuproine and their exceptional antiproliferative activity against cancer cell lines.
Dalton Trans
November 2024
Department of Engineering and Natural Sciences, University of Applied Sciences Merseburg, Eberhard-Leibnitz-Straße 2, 06217 Merseburg, Germany.
Three novel complexes of deprotonated diflunisal () with neocuproine () were synthesized and characterized elemental, spectral (UV-vis, FTIR, fluorescence, and mass spectrometry), and single-crystal X-ray diffraction analyses. Although the compounds shared a similar composition of [MCl()()], where M represents Zn(II) (1), Co(II) (2) and Cu(II) (3), only 1 and 2 were isostructural, while 3 differed in both the molecular and supramolecular structures. In all three complex molecules, the central atom is coordinated by two nitrogen atoms of in a bidentate chelate mode, and one chlorido ligand and is bonded in either a monodentate mode one oxygen atom of the carboxylate in 1 and 2 or in a bidentate chelate mode both carboxylate oxygen atoms in 3.
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