Same ligand, three first-row metals: comparing M-amido bifunctional reactivity (Mn, Fe, Co).

Matthew R ElsbyScott Y H KimStephan N Steinmann R Tom Baker

Published in: Dalton transactions (Cambridge, England : 2003) (2021)

The bifunctional reactivity of three metal SNS (bis)amido complexes was computationally assessed by comparing the nucleophilicity of the M-Namido donor (Mn, Fe, Co). Hirshfeld charges identified the Mn-Namido donor as most nucleophilic and Fe as most electrophilic metal. Reaction energy profiles of a model bifunctional H2 activation showed Mn with the lowest reaction barrier (17 kcal mol-1), followed by Fe and Co (21 and 29 kcal mol-1).

Keyphrases

metal organic framework
room temperature
crystal structure
transition metal
climate change
risk assessment