Related Experiment Video
Updated: Jul 18, 2025

Isolating Free Carbenes, their Mixed Dimers and Organic Radicals
Published on: April 19, 2019
Main-Group Metal Complexes of Benzene: Predicted Features of Stabilization and Isomerization
1Faculty of Science, Ontario Tech University (UOIT), Oshawa, ON M4W 3C8, Canada.
Abstract:
Complexes of metal atoms with organic molecules represent a broad variety of systems with many important applications, e.g., in metal-organic interfaces and organometallic chemistry. One class involves aromatic species like benzene (Bz). Here, such complexes with second-group metals are investigated systematically in terms of structure and shape, stability and isomerization, charge distribution and aromaticity, and polarity and IR spectra. Three groups of isomers are identified, varying from metastable to stable ones, in effect featuring "physisorption" or "chemisorption". In particular, the high polarity of binary complexes and nonadditive stabilization of ternary systems for some isomers are found. Also, the Bz component's shape alteration for different isomers and system sizes and related aromaticity variations are predicted to be considerable. Property evolution for the series of metal components is analyzed.
More Related Videos
19:58Palladium N-Heterocyclic Carbene Complexes: Synthesis from Benzimidazolium Salts and Catalytic Activity in Carbon-carbon Bond-forming Reactions
Published on: July 30, 2017
05:34Efficient Synthesis of Polyfunctionalized Benzenes in Water via Persulfate-promoted Benzannulation of α,β-Unsaturated Compounds and Alkynes
Published on: December 16, 2019
Related Concept Videos
Complexation Equilibria: Factors Influencing Stability of Complexes
Structure of Benzene: Kekulé Model
He proposed that benzene has a cyclic structure of six carbon atoms attached to one hydrogen atom each, with three alternating pi bonds.
Electrophilic Aromatic Substitution: Chlorination and Bromination of Benzene
NMR Spectroscopy of Benzene Derivatives
Structure of Benzene: Molecular Orbital Model
Reduction of Benzene to Cyclohexane: Catalytic Hydrogenation