Two-state reactivity in C-H activation by a four-coordinate iron(0) complex.

Abstract

The ground state structure of [Ph2B(tBuIm)2Fe(CO)2]- is trigonal pyramidal (S = 1), with a thermally accessible square planar (S = 0) geometry. Experimentally calibrated electronic structure calculations provide evidence for two-state reactivity, with C-H oxidative addition on the singlet surface providing an iron(ii) product (S = 0).

DOI: 10.1039/c6cc09244f

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Cite this paper

@article{Hickey2017TwostateRI, title={Two-state reactivity in C-H activation by a four-coordinate iron(0) complex.}, author={Anne Hickey and Sean A Lutz and Chun-Hsing Chen and Jeremy M Smith}, journal={Chemical communications}, year={2017}, volume={53 7}, pages={1245-1248} }