Fluorine-based Zn salan complexes.

We synthesised and characterised the racemic and chiral versions of two Zn salan fluorine-based complexes from commercially available materials. The complexes are susceptible to absorbing HO from the atmosphere. In solution (DMSO-HO) and at the millimolar level, experimental and theoretical studies identify that these complexes exist in a dimeric-monomeric equilibrium.

Chiral CoY Propeller-Shaped Chemosensory Platforms Based on F-NMR.

Two propeller-shaped chiral CoY complexes built from fluorinated ligands are synthesized and characterized by single-crystal X-ray diffraction (SXRD), IR, UV-vis, circular dichroism (CD), elemental analysis, thermogravimetric analysis (TGA), electron spray ionization mass spectroscopy (ESI-MS), and NMR (H, C, and F). This work explores the sensing and discrimination abilities of these complexes, thus providing an innovative sensing method using a F NMR chemosensory system and opening new directions in 3d/4f chemistry. Control experiments and theoretical studies shed light on the sensing mechanism, while the scope and limitations of this method are discussed and presented.

Skeletally Tunable Seven-Membered-Ring Fused Pyrroles.

We describe a copper-mediated method that enables the synthesis of seven-membered-ring fused pyrroles (7-mrFPs). The protocol proceeds via an in situ spiro-intermediate ring expansion and tolerates a library of 7-mrFP derivatives with a broad range of functional groups in a simple step with tangible parameters and substrate adaptations. These rare 7-mrFPs are now accessible on a millimolar scale, and selected examples exhibit high antioxidant activity.

Computational chemistry study of toxicity of some -tolyl acetate derivatives insecticides and molecular design of structurally related products.

Molecular descriptors (including quantum chemical, topological and physicochemical descriptors) were calculated for five -tolyl derivatives insecticides [namely, carbosulfan (CBS), carbofuran (CBF), isoprocab (IFP), methiocarb (MTC) and isocarbophos (ICP)]. Calculated quantum chemical parameters included the total energy, the electronic energy, the binding energy, the core-core repulsion energy, the heat of formation, the dipole moment and the frontier molecular orbital energies. All the calculated quantum chemical parameters (except dipole moment) exhibited strong correlation with the experimental LD values of the studied insecticides (at various Hamiltonians).

Gum Arabic-silver nanoparticles composite as a green anticorrosive formulation for steel corrosion in strong acid media.

A green anticorrosive composite (GA-AgNPs) has been formulated for steel in 15% HCl and 15% HSO media. Characterization of GA-AgNPs is achieved via FTIR, UV-vis, EDAX, and SEM. Gravimetric, electrochemical (EIS, EFM, DEIS, & TP), and surface assessment (SEM, EDAX, AFM, & XPS) techniques have been deployed in the anticorrosion studies.