Journal
DALTON TRANSACTIONS
Volume 51, Issue 15, Pages 5772-5776Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/d2dt00672c
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Funding
- U.S. DOE, Office of Science, Office of Basic Energy Sciences [DE-AC02-76SF00515]
- U.S. DOE, Office of Biological and Environmental Research
- NIH/NIGMS [P30GM133894]
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Spectroscopic and computational examination reveals a Class III mixed-valent ground state for the neutral tris-dioxolene complex [V(dbcat)(3)]. The radical is stabilized by delocalization across the ligands mediated by the V(v) center's energy matched d orbital manifold. This electronic structure differs from the tris-dithiolene and tris-diimine analogues with V(iv) and V(ii) ions, respectively.
Spectroscopic and computational examination of the neutral tris-dioxolene complex [V(dbcat)(3)] (dbcat(2-) = 3,6-di-tert-butylcatecholate) reveals a Class III mixed-valent ground state. The radical is stabilised by delocalisation across the ligands mediated by the energy matched d orbital manifold of the V(v) centre. This electronic structure is compared to the tris-dithiolene and tris-diimine analogues that possess V(iv) and V(ii) ions, respectively.
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