Carbonylation of alkyl halides with [Fe(CO)₃(NO)]⁻: In silico identification of a common intermediate

Keyphrases

• In Silico Identification 100%
• Alkyl Halides 100%
• Carbonylation 100%
• Density Functional Theory 50%
• Alkylation 50%
• In Silico 50%
• Well-defined 50%
• Iodide 50%
• Acyl 50%
• Solvent Molecules 50%
• SN2 Pathway 50%
• Oxidative Addition 50%
• PPh3 50%
• Direct Participation 50%
• Alkyl Migration 50%

Chemistry

• Carbonylation 100%
• Halide 100%
• SN2 Mechanism 50%
• Oxidative Addition 50%
• Alkylation 50%
• Density Functional Theory 50%

Biochemistry, Genetics and Molecular Biology

• Carbonylation 100%
• Alkylation 50%