Differences in the Abilities to Mechanically Eliminate Activation Energies for Unimolecular and Bimolecular Reactions.

Mechanochemistry, i.e. the application of forces, F, at the molecular level, has attracted significant interest as a means of controlling chemical reactions.

Theoretical Approaches for Understanding the Interplay Between Stress and Chemical Reactivity.

The use of mechanical stresses to induce chemical reactions has attracted significant interest in recent years. Computational modeling can play a significant role in developing a comprehensive understanding of the interplay between stresses and chemical reactivity. In this review, we discuss techniques for simulating chemical reactions occurring under mechanochemical conditions.

Heteroleptic rhodium NHC complexes with pyridine-derived ligands: synthetic accessibility and reactivity towards oxygen.

The synthesis, structure determination and oxidative stability of novel Rh-NHC complexes which feature pyridine-derived ligands have been described. All complexes described herein were synthesized from common dinuclear precursors of general structure [Rh(NHC)(L)Cl](2), where L is a monodentate olefin. We demonstrate that the use of these precursors is critical for the formation of all complexes since related cyclooctadiene containing precursors ([Rh(NHC)(COD)Cl]) were completely unreactive under identical conditions.