The influence of benzoate anions on the corrosion inhibition effect of benzotriazole (BTA) for mild steel in sulfuric acid has been investigated. The investigation was carried out by electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization techniques. The addition of benzoate ions greatly enhances the inhibition efficiency of BTA in a synergistic manner. This effect has bee...

N-methylacetamide (NMA) is a very interesting compound and often serves as a model of the peptide bond. The interaction between NMA and water provides a convenient prototype for the solvation of the peptides in aqueous solutions. Here we present NMA-water potential model based on atom-bond electronegativity equalization method fused into molecular mechanics (ABEEM/MM) that is to take ABEEM char...

A panchromatic hybrid crystal of anionic iodoplumbate nanowires and J-aggregated protonated naphthalene diimides has been formed through charge-assisted anion-π and lone pair-π interactions, which exhibits unusually long-lived charge-separated states even upon the irradiation of indoor lighting.

Chemists use one set of orbitals when comparing to a structural formula, hybridized AOs or NBOs for example, and another for reasoning in terms of frontier orbitals, MOs usually. Chemical arguments can frequently be made in terms of energy and/or electron density without the consideration of orbitals at all. All orbital representations, orthogonal or not, within a given function space are relat...

The transformation of an amidinate germylene, equipped with just one accessible lone pair of electrons on the Ge atom, into a bidentate 4-electron donor κ(2)Ge,N-ligand, has been achieved for the first time, opening new doors to the non-carbene-like coordination chemistry of heavier carbene analogues.

Entirely unlike the aromatic closo BnHn2- borane dianions, isoelectronic Si62- and Si122- are antiaromatic. Their Oh and Ih symmetries are responsible, as the other deltahedral silicon dianion clusters do not exhibit this behavior. These high symmetries prevent mixing among the degenerate lone pair and skeletal orbitals, leading to paratropic behavior.