Computational study of the reaction of C₆F₆ with [IrMe(PEt₃)₃]: Identification of a phosphine-assisted C-F activation pathway via a metallophosphorane intermediate

Chemistry

• Transition State 100%
• Methane 100%
• Ethylene 100%
• Ethyl Group 50%
• Transfer Process 50%
• Iridium 50%
• Fluoroarene 50%
• Reductive Elimination Reaction 50%
• formation 50%
• Oxidative Addition 50%
• Phosphorus 50%
• Electron Transport 50%
• Density Functional Theory 50%
• Charge Distribution 50%