An abiotic analogue of the diiron(iv)oxo “diamond core” of soluble methane monooxygenase generated by direct activation of O2 in aqueous Fe(ii)/EDTA solutions: thermodynamics and electronic structure
Abstract
We study the generation of a dinuclear
* Corresponding authors
a
STFC Rutherford Appleton Laboratory, Harwell Oxford, Didcot, UK
E-mail:
Leonardo.Bernasconi@stfc.ac.uk
b WCU program at Department of Chemistry, Pohang University of Science and Technology, Pohang 790-784, South Korea
c Department of Chemistry, University of Perugia, via Elce di Sotto 8, 06123 Perugia, Italy
d
Theoretical Chemistry Section, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
E-mail:
E.J.Baerends@vu.nl
We study the generation of a dinuclear
L. Bernasconi, P. Belanzoni and E. J. Baerends, Phys. Chem. Chem. Phys., 2011, 13, 15272 DOI: 10.1039/C1CP21244C
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