N-H Activation of Ammonia by [{M(μ-OMe)(cod)}<inf>2</inf>] (M = Ir, Rh) Complexes: A DFT Study

Keyphrases

• Ammonia 100%
• Rh Complex 100%
• DFT Study 100%
• N-H Activation 100%
• Amido 66%
• Hydrogen Transfer 66%
• Heterotic 66%
• N-H Bond 33%
• Reaction Pathway 33%
• Bond Cleavage 33%
• Reaction Mechanism 33%
• Oxidative Addition 33%
• Computational Study 33%
• Amino Acid Ligand 33%
• Metal-metal Bonding 33%
• Intermediate Bearing 33%
• Metallacycles 33%
• DFT Level 33%
• Core M 33%
• Bonding Analysis 33%
• Dinuclear 33%
• 2-complex 33%
• Homolytic 33%
• N-H Bond Activation 33%
• Stepwise Mechanism 33%
• Bonding Interactions 33%
• Bridging Ligands 33%
• Bridged Complexes 33%

Chemistry

• Density Functional Theory 100%
• Hydrogen Transfer 100%
• Oxidative Addition 50%
• Metallacycle 50%
• Metallic Bonding 50%