Inorganics, Volume 6, Issue 1

We report the synthesis, structure, and magnetic properties of a new dinuclear dysprosium(III) complex based on a 3-methoxycinnamate ligand. The centrosymmetric complex exhibits a field-induced SMM behavior. In contrast to the previously reported lan...

Atomic layer deposition (ALD) offers exciting possibilities for controlling the structure and composition of surfaces on the atomic scale in heterogeneous catalysts and solid oxide fuel cell (SOFC) electrodes. However, while ALD procedures and equipm...

The preparation of non-symmetric Schiff base ligands possessing one oxime function that is associated to a second function such as pyrrole or phenol function is first described. These ligands, which possess inner N4 or N3O coordination sites, allow f...

Spin-crossover (SCO) is a spin-state switching phenomenon between a high-spin (HS) and low-spin (LS) electronic configurations in a transition metal center.

Charged and neutral silicon clusters comprising Si atoms that are exclusively connected to atoms of the same type serve as models for bulk silicon surfaces. The experimentally known nido-[Si₉]⁴⁻ Zintl cluster is investigated as a building block and a...

The reactions of the fused-ring bulky Eind-substituted 1,2-dibromodisilene, (Eind)BrSi=SiBr(Eind) (1a) (Eind = 1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl (a)), with N-heterocyclic carbenes (NHCs) (Im-Me₄ = 1,3,4,5-tetramethylimidazol-2-ylidene and...

Knowing the possible structures of individual clusters in nanostructured materials is an important first step in their design. With previous structure prediction data for BaO nanoclusters as a basis, data mining techniques were used to investigate ca...

The investigation of the reactivity of six membered N-heterocyclic carbene 1,3-bis(2,4,6-trimethylphenyl)-3,4,5,6-tetrahydropyrimidin-1-ylidene (6-Mes) towards dialkylgallium and dialkylindium alkoxides/aryloxides has shown that both steric hindrance...

Protic NHC (PNHC) complexes with N¹H, N²-alkyl/aryl imidazolylidene ligands are relatively rare, and routes for their synthesis differ from what is used to make non-protic analogs. Prior work from our group and others showed that in the presence of a...

Single Molecule Magnets (SMMs) based on transition metals and rare earths have been the object of considerable attention for the past 25 years. These systems exhibit slow relaxation of the magnetization, arising from a sizeable anisotropy barrier, an...

Although the nitrogen-fixing enzyme nitrogenase critically requires both a reductase component (Fe protein) and a catalytic component, considerably more work has focused on the latter species. Properties of the catalytic component, which contains two...

Rational, fine tuning of magnetic anisotropy is critical to obtain new coordination compounds with enhanced single molecule magnet properties. For mononuclear transition metal complexes, the largest contribution to zero-field splitting is usually rel...

Re(pyNHC-PhCF₃)(CO)₃Br is a highly active photocatalyst for CO₂ reduction. The PhCF₃ derivative was previously empirically shown to be a robust catalyst. Here, the role of the PhCF₃ group is probed computationally and the robust nature of this cataly...

The sterically bulky Ga(III) and In(III) (IPr*)MMe₃ adducts (1 and 2) and (SItBu)MMe₃ adducts (3 and 4) (M = Ga, In; IPr* = 1,3-bis{2,6-bis(diphenylmethyl)-4-methylphenyl}-1,3-dihydro- imidazol-2-ylidene; SItBu = 1,3-bis(1,1-dimethylethyl)-imidazolid...

Man-made homogeneous catalysis with the aid of transition metal compounds looks back on a long history of almost one hundred years. Still, more detailed insight into the underlying mechanisms is warranted. The knowledge of how transition metals with...

Metal salen/salophen complexes have been used as fluorescent probes for cell imaging with various metal centers. Herein we synthesized cryptand-type aluminum salophen complexes LAl₃ and the corresponding mononuclear compound LAl. X-ray crystal diffra...

π-Electron compounds that include multiple bonds between silicon atoms have received much attention as novel functional silicon compounds. In the present paper, 1,2-bis(trimethylsilyl)-1,2-disilacyclohexene 1 was successfully synthesized as thermally...

Using density functional theory (DFT) methods, we analyze the adsorption of acetylene and ethylene on the Si(001) surface in an unusual bond insertion mode. The insertion takes place at a saturated tetravalent silicon atom and the insight gained can...

In recent years, nickel has entered the stage for catalyzed C–C cross-coupling reactions, replacing expensive palladium, and in some cases enabling the use of new substrate classes. Polypyridine ligands have played an important role in this developme...

The syntheses, structural characterization, and magnetic properties of three lanthanide complexes with formulas [Ln(L¹)₃] (Ln = Dy (1Dy); Er (1Er)); and [Dy(L²)₂] (2Dy) were reported. Complexes 1Dy and 1Er are isostructural with the metal ion in dist...

Host-guest chemistry was performed with disilane-bearing crown ethers and the ammonium cation. Equimolar reactions of 1,2-disila[18]crown-6 (1) or 1,2-disila-benzo[18]crown-6 (2) and NH₄PF₆ in dichloromethane yielded the respective compounds [NH₄(1,2...

Cation tracer diffusion in polycrystalline AZrO₃ (A = Ca, Sr, Ba) perovskites was studied at 1300–1500 °C in air using the stable isotope ⁹⁶Zr. Thin films of ⁹⁶ZrO₂ were deposited on polished ceramic pellets by drop casting of an aqueous precursor so...

We analyzed the effect of the interfacial free energy on the thermodynamics of hydrogen sorption in nano-scaled materials. When the enthalpy and entropy terms are the same for all interfaces, as in an isotropic bi-phasic system, one obtains a compens...

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The potential of 1-butyl-3-methylimidazolium tetrachloroferrate ([bmim]Fe(III)Cl₄) for replacing an iron(III) chelate catalytic solution in the catalytic oxidation of H₂S is attributed to its no side reaction and no degradation of the chelating agent...

NaBH₄ hydrolysis can generate pure hydrogen on demand at room temperature, but suffers from the difficult regeneration for practical application. In this work, we overview the state-of-the-art progress on the regeneration of NaBH₄ from anhydrous or h...

A photo-switchable single molecule-magnet (SMM) with two Dy ions bridged by a bis-bipyridine-dithienylethene ligand was synthesised. Isomerisation effects on the magnetic properties were investigated. Particular attention was paid to the slow relaxat...

In this contribution is reported the synthesis, characterization, and aggregation properties in solution of a novel Zn(II) complex, (R)-2, derived from the enantiopure chiral trans-1,2-diaminocyclohexane and a substituted salicylaldehyde. Detailed ¹H...

We synthesized the dinuclear and mononuclear dysprosium(III) complexes [{Dy(Tp)₂}₂(Cl₂An)]·2CH₂Cl₂ (1) and [Co(Cp)₂][Dy(Tp)₂(Cl₂An)] (3), where Cl₂An²⁻ and Tp⁻ are the chloranilate and hydrotris(pyrazolyl)borate ligand, respectively. In addition, the...

Since their development in the 1930s, Schiff-base complexes have played an important role in the field of coordination chemistry. Here, we report the synthetic, spectral, structural, magnetic and electrochemical studies of two new pentacoordinated ne...

Peripherally functionalized low-valent main group species allow for the introduction/interconversion of functional groups without increasing the formal oxidation state of the main group center. Herein, we report a straightforward method for the incor...

New chitosan derivatives modified with (3-carboxypropyl)trimethylammonium chloride (1) and coupled with (OC-6-44)-diammine(4-carboxypropanoato)dichloridoethanolatoplatinum(IV) (2), were synthesized and their preliminary biological evaluation carried...

Magnesium hydride (MgH₂) exhibits great potential for hydrogen and lithium storage. In this work, MgH₂-based composites with expanded graphite (EG) and TiO₂ were prepared by a plasma-assisted milling process to improve the electrochemical performance...

The surface modification of inorganic materials with organic units is an important process in device preparation. For the modification of TiO₂, organocarboxylic acids (RCO₂H) are usually used. Carboxylic acids form ester linkages (RCO₂Ti) with hydrox...

The ternary carbodiimide BaZn(NCN)₂ was prepared by a solid-state metathesis reaction between BaF₂, ZnF₂, and Li₂NCN in a 1:1:2 molar ratio, and its crystal structure was determined from Rietveld refinement of X-ray data. BaZn(NCN)₂ represents the ar...