Angewandte Chemie International Edition · 2018 · 93 citations · 78 references
C-H activation bears great potential for enabling sustainable molecular syntheses in a step- and atom-economical manner, with major advances having been realized with precious 4d and 5d transition metals. In contrast, we employed earth abundant, nontoxic iron catalysts for versatile allene annulations through a unique C-H/N-H/C-O/C-H functionalization sequence. The powerful iron catalysis occurred under external-oxidant-free conditions even at room temperature, while detailed mechanistic studies revealed an unprecedented 1,4-iron migration regime for facile C-H activations.
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Aleksandr V. Marenich, Christopher J. Cramer, Donald G. Truhlar · The Journal of Physical Chemistry B · 2009 · 16.7K citations
Jianmin Tao, John P. Perdew, Viktor N. Staroverov et al. · Physical Review Letters · 2003 · 6.9K citations · Full text
Engineering, Density Functional Ladder, Magnetic Resonance +16