Issue 7, 2017
From the journal:

Chemical Communications

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

Anne K. Hickey,a   Sean A. Lutz,a   Chun-Hsing Chena  and  Jeremy M. Smith ORCID logo *a  

* Corresponding authors

a Department of Chemistry, Indiana University, 800 E. Kirkwood Ave., Bloomington, IN, USA
E-mail: smith962@indiana.edu

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).

Graphical abstract: Two-state reactivity in C–H activation by a four-coordinate iron(0) complex

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Article information

DOI
https://doi.org/10.1039/C6CC09244F
Article type
Communication
Submitted
19 Nov 2016
Accepted
29 Dec 2016
First published
03 Jan 2017

Chem. Commun., 2017,53, 1245-1248

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

A. K. Hickey, S. A. Lutz, C. Chen and J. M. Smith, Chem. Commun., 2017, 53, 1245 DOI: 10.1039/C6CC09244F

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