Exploring Interatomic Electron Transfer and Metal-Ligand Binding Mechanism in Trimethylenemethane Iron Tricarbonyl: Insights from Potentials per Electron and Corresponding Force Density Fields.

This study employs an analysis of the per-electron potentials and the superposition of the electrostatic and kinetic force fields, () and (), and the gradients of the potential energy and one-electron densities to investigate the binding mechanism in trimethylenemethane iron tricarbonyl complex (TMM)Fe(CO). Our approach permits the delineation of the "ligand-binding" force field generated by the metal nucleus but partially operating within the ligand atoms. A mechanical rationale for metal-ligand interactions is thus presented: In the corresponding area, the attractive force () provides the backdrop against which the homotropic static force () and the heterotropic kinetic force () exert attractive and repulsive influences, respectively, toward the metal nucleus on a portion of the electrons belonging to the ligand atoms.

Electronic Force Density Fields: Insights into Partial Bonds, Transition States, and Chemical Structure Evolution.

This paper presents the quantum-topological binding approach, in which the electrostatic and total static force density fields, () and , together with the electron density gradient field ∇ρ(), are simultaneously analyzed to elucidate the chemical structure of transition states and the nature of interatomic interactions for semibroken semiformed partial chemical bonds. The approach attributes the discrepancies between the force fields and () to the nonclassical electron-electron interaction effects. The internuclear gap between the zero-flux boundaries of () and ∇ρ() indicates the interatomic charge transfer phenomenon (ICT) that occurs upon the formation of a system from free atoms.

Toward the Chemical Structure of Diborane: Electronic Force Density Fields, Effective Electronegativity, and Internuclear Turning Surface Properties.

The chemical structure of diborane was elucidated through the superposition of the vector fields of the electron density gradient ∇ρ(), the electrostatic force (), and the kinetic force (), together with the analysis of the cumulative charges of the atoms and pseudoatoms delimited in the aforementioned fields. It was proposed that the -pseudoatomic charge could be employed as a metric for quantifying the ionic component of a related atomic charge. The electron permeability across an internuclear turning surface─specifically, the zero-flux surface in ()─was characterized by probing it through mapping the total static potential φ().

Proton-assisted seven-electron acceptor properties of di-iso-propylphenyl-bis-iminoacenaphthene.

Herein, we report the record-breaking seven-electron reduction of di-iso-propylphenyl-bis-iminoacenaphthene (dpp-bian) involving protons under chemical and electrochemical reduction conditions. Using the dpp-bian-H compound as a starting reagent, its mono- and trisodium salts were obtained. A voltammetric study showed that the trinuclear sodium salt can accept an additional seventh electron upon electrochemical reduction.

Facile methyl group transfer from Pt to gallium and indium.

Facile transmetalation is observed from a d metal, platinum(II), to indium and gallium leading to the extrusion of methylated gallate and indate anions representing a rare case of the "reverse" transmetalation from a d metal to a main group metal. The Pt-Ga and Pt-In bonding in the bimetallic complexes was analyzed through bosonic and fermionic potentials, QTAIM, and NBO.