Regioselective Nitration and/or Halogenation of Iridabenzofurans through Electrophilic Substitution

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Diazo compounds of the type R1R2CN2 are widely used in organometallic catalysis and synthetic chemistry. Stable diazoolefins, R1R2C=CN2, have only been isolated recently. Diazoolefins undergo cycloaddition reactions and tend to be carbon donors when used a ...

One tetrahedral and two trigonal prismatic cages with π-basic Au3(pyrazolate)3 faces were obtained by connection of pre-formed gold complexes via dynamic covalent imine chemistry. The parallel arrangement of the Au3(pyrazolate)3 complexes in the prismatic ...

End-on binding of dinitrogen to low valent metal centres is common in transition metal chemistry but remains extremely rare in f-elements chemistry. In particular, heterobimetallic end-on N2 bridged complexes of lanthanides are unprecedented despite their ...

Amides are common constituents in natural organic matter and synthetic chemicals. In this study, we investi-gated kinetics and mechanisms of the reactions of chlorine with seven amides, including acetamide, N-meth-ylformamide, N-methylacetamide, benzamide, ...

The biological N-2-fixation process is catalyzed exclusively by metallocofactor-containing nitrogenases. Structural and spectroscopic studies highlighted the presence of an additional mononuclear metal-binding (MMB) site, which can coordinate Fe in additio ...

The design of metal-organic frameworks (MOFs) having large pore sizes and volumes often requires the use of complex organic ligands, currently synthesized using costly and time-consuming palladium-catalyzed coupling chemistry. Thus, in the present work, a ...

Observations are reported of HClO3 and HClO4 in the atmosphere and their widespread occurrence over the pan-Arctic during spring, providing further insights into atmospheric chlorine cycling in the polar environment. ...

Structure determination of materials is key to understanding their physical properties. While single-crystal X-ray diffraction is the gold standard for structures displaying long-range order, many materials of interest are polycrystalline and/or disordered ...

The most promising solution towards cementitious materials with a lower carbon footprint is the partial substitution of the clinker by supplementary cementitious materials (SCMs) such as fly ash, blast furnace slag, limestone and calcined clays. The produc ...

Protein crystallography and biochemical assays reveal that the organometallic drug, [Ru(eta(6)-p-cymene)Cl-2(pta)] (RAPTA-C), preferentially binds to nucleosomal histone proteins in chromatin. To better understand the binding mechanism we report here a mas ...

Structure determination techniques are an essential tool to investigate and understand molecules, especially in biology, where functionality crucially depends on structure. The dominant high-resolution methods, such as transmission electron microscopy and ...

NMR crystallography has been around for half a century, but with the advent of NMR crystal structure determination protocols in the last decade it has shown perspectives that were not seen before. Amalgamation of NMR and crystal structure determination has ...

Nitrogen-containing compounds are an important class of molecules in medicinal chemistry, chemical biology, biochemistry, material sciences or environmental sciences. Organic nitrogen occurs in many forms, ranging from small building blocks such as urea, a ...

Despite recent advances in the field of cyclic alkyl amino carbenes (CAACs) including a few complementary synthetic strategies affording CAACs with various substitution patterns, the application potential of chiral CAACs to efficiently catalyze asymmetric ...

Metal nanoclusters are a unique class of synthetic material, as their crystal structures can be resolved using X-ray diffraction, and their chemical formula can be precisely determinated from mass spectroscopy. However, a complete structure characterizatio ...

Two pyrazole-based ligands bearing a pyridine moiety, 3-methyl-1-(pyridin-2-yl)-5-pyrazolone (HLpy), and 3methyl-1-(pyridin-2-yl)-4-trifluoroacetyl-5-pyrazolone (HQpy,CF3), were prepared and fully characterized in the solid-state and the tautomerism of bot ...

To investigate the effect of different halogen substituents and leaving groups and the flexibility of ligands on the anticancer activity of copper complexes, sixteen copper(ii) complexes with eight different tridentate Schiff-base ligands containing pyridi ...

In this thesis, we exploited optical and X-ray pump-probe methods in a synergistic approach to study the interplay of the electronic, spin and structural degrees of freedom in two class of complex systems relevant for solar energy conversion applications: ...

The development of a sequential copper-catalyzed oxy-alkynylation/intramolecular [4+2] cycloaddition of allenes and arenes was investigated at first. This one-pot protocol allowed the construction of complex polycylic architectures with high efficiency fro ...

Clathrochelate complexes of cobalt are known in the oxidation states I, II, and III. Low-valent Co(I) complexes are highly reactive compounds, and there is only limited knowledge about their structures in the solid state. Herein, we describe the crystallog ...

Regioselective Nitration and/or Halogenation of Iridabenzofurans through Electrophilic Substitution

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Molecular imine cages with π-basic Au3(pyrazolate) faces

Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides

Chlorination of amides: Kinetics and mechanisms of formation of N-chloramides and their reactions with phenolic compounds

The Mononuclear Metal-Binding Site of Mo-Nitrogenase Is Not Required for Activity

A Simple, Transition Metal Catalyst-Free Method for the Design of Complex Organic Building Blocks Used to Construct Porous Metal-Organic Frameworks

Widespread detection of chlorine oxyacids in the Arctic atmosphere

NMR Crystallography in the Big Data Era: New Methods and Applications Powered by Machine Learning

The role of Zn in C-S-H atomic structure, nucleation and growth

Competitive binding studies of the nucleosomal histone targeting drug, [Ru (eta(6)-p-cymene)Cl-2(pta)] (RAPTA-C), with oligonucleotide-peptide mixtures

Low-energy Electron Holography Microscope for Imaging of Single Molecules

New methods for structure determination and speciation by NMR crystallography

Ring-Opening Reactions of Aminocyclopropanes and Aminocyclobutanes

Chiral Cyclic Alkyl Amino Carbene (CAAC) Transition-Metal Complexes: Synthesis, Structural Analysis, and Evaluation in Asymmetric Catalysis

Quantifying the Solution Structure of Metal Nanoclusters Using Small-Angle Neutron Scattering

Arene-ruthenium(II) complexes with pyrazole-based ligands bearing a pyridine moiety: Synthesis, structure, DFT calculations, and cytotoxicity

Copper(ii) complexes with tridentate halogen-substituted Schiff base ligands: synthesis, crystal structures and investigating the effect of halogenation, leaving groups and ligand flexibility on antiproliferative activities

Photo- and thermally-induced electronic and structural dynamics in perovskites and transition metal oxides

New Vinylation and Alkynylation Strategies with Hypervalent Iodine Reagents and Diazo Compounds

Ligand Effects in Low-Valent Co(I) Clathrochelate Complexes