One Bridge, Three Bonds: A Frontier in Multiple Bonding in Heterobimetallic Complexes

Hunter, Nathanael H.; Stevens, Jeremiah E.; Moore, Curtis E.; Thomas, Christine M.

doi:10.1021/acs.inorgchem.2c03716

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One Bridge, Three Bonds: A Frontier in Multiple Bonding in Heterobimetallic Complexes

Hunter, Nathanael H.·Stevens, Jeremiah E.·Moore, Curtis E.·Thomas, Christine M.

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Abstract

A single bridging phosphinoamide ligand was shown to support a metal–metal triple bond in a Zr/Co heterobimetallic complex. The similarity of the bonding in this compound to previously synthesized Zr/Co species, and therefore the assignment of the Zr/Co triple bond, is supported by the structural parameters of the complex, the electronic structure predicted by density functional theory, and complete-active-space self-consistent-field (CASSCF) calculations. This demonstrates that metal–metal multiple bonds can be realized in heterobimetallic complexes without multiple bridging ligands to enforce the proximity of the two metals.

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY Anions Bimetals Ligands Metals Transition metals anions bimetals ligands metal transition metals

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Hunter, Nathanael H., Stevens, Jeremiah E., Moore, Curtis E., Thomas, Christine M.. 2023-01-03. One Bridge, Three Bonds: A Frontier in Multiple Bonding in Heterobimetallic Complexes. https://doi.org/10.1021/acs.inorgchem.2c03716

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