Thermal Formation of Metathesis-Active Tungsten Alkylidene Complexes from Cyclohexene.

A 7-tungstabicyclo[4.3.0]nonane complex forms slowly upon addition of cyclohexene to the ethylene complex, W(NAr)(OSiPh)(CH), at 22 °C.

Mononuclear Four-Coordinate Bis-Fluoride Bis-NHC Complexes of Chromium(II), Iron(II), and Cobalt(II).

The reaction between silylamido complexes of Cr(II), Fe(II), and Co(II) and IMes·2HF salt in the presence of IMes (IMes = 1,3-dimesitylimidazol-2-ylidene) led to isolation of Cr(IMes)F (), Fe(IMes)F (), and Co(IMes)F (). X-ray structural studies revealed that adopts square planar geometry, while and have distorted tetrahedral geometry. Magnetic susceptibility studies of , , and were consistent with high-spin complexes, = 2 for / and = 3/2 for .

Influence of Capping Ligands, Solvent, and Thermal Effects on CdSe Quantum Dot Optical Properties by DFT Calculations.

Cadmium selenide nanomaterials are very important materials in photonics, catalysis, and biomedical applications due to their optical properties that can be tuned through size, shape, and surface passivation. In this report, static and ab initio molecular dynamics density functional theory (DFT) simulations are used to characterize the effect of ligand adsorption on the electronic properties of the (110) surface of zinc blende and wurtzite CdSe and a (CdSe) nanoparticle. Adsorption energies depend on ligand surface coverage and result from a balance between chemical affinity and ligand-surface and ligand-ligand dispersive interactions.

Enhancing magneto-ionic effects in cobalt oxide films by electrolyte engineering.

Electric-field-driven ion motion to tailor magnetic properties of materials (magneto-ionics) offers much promise in the pursuit of voltage-controlled magnetism for highly energy-efficient spintronic devices. Electrolyte gating is a relevant means to create intense electric fields at the interface between magneto-ionic materials and electrolytes through the so-called electric double layer (EDL). Here, improved magneto-ionic performance is achieved in electrolyte-gated cobalt oxide thin films with the addition of inorganic salts (potassium iodide, potassium chloride, and calcium tetrafluoroborate) to anhydrous propylene carbonate (PC) electrolyte.

Controlling the Formation of Two Concomitant Polymorphs in Hg(II) Coordination Polymers.

Controlling the formation of the desired product in the appropriate crystalline form is the fundamental breakthrough of crystal engineering. On that basis, the preferential formation between polymorphic forms, which are referred to as different assemblies achieved by changing the disposition or arrangement of the forming units within the crystalline structure, is one of the most challenging topics still to be understood. Herein, we have observed the formation of two concomitant polymorphs with general formula {[Hg(Pip)(4,4'-bipy)]·DMF} (; Pip = piperonylic acid; 4,4'-bipy = 4,4'-bipyridine).