title: Assignment of the oxidation states of Zr and Co in a highly reactive heterobimetallic Zr/Co complex using X-ray absorption spectroscopy (XANES).
abstract: The reduced heterobimetallic complex (THF)Zr(MesNP(i)Pr2)3CoN2 (1) has been examined along with a series of structurally similar reference compounds using X-ray absorption near edge structure (XANES) spectroscopy. Complex 1 has been shown to be highly reactive, often via one-electron pathways that might be expected for a d(1) Zr(III) complex. However, the presence of two strongly interacting metals in complex 1 renders the assignment of oxidation states ambiguous. Both Zr and Co K-edge XANES spectra reveal that the most accurate description of complex 1 is that of a Zr(IV)/Co(-I) zwitterion. Electronic structure calculations support this assignment.
authors.affiliation: Department of Chemistry, Brandeis University, 415 South Street MS 015, Waltham, Massachusetts 02453, USA. thomasc@brandeis.edu.
authors.forename: Jeremy P
authors.initials: JP
authors.lastname: Krogman
authors.forename: James R
authors.initials: JR
authors.lastname: Gallagher
authors.forename: Guanghui
authors.initials: G
authors.lastname: Zhang
authors.forename: Adam S
authors.initials: AS
authors.lastname: Hock
authors.forename: Jeffrey T
authors.initials: JT
authors.lastname: Miller
authors.forename: Christine M
authors.initials: CM
authors.lastname: Thomas