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◆ Dalton Transactions2025-11-28· Ligand field theory

Inverted ligand fields: a conceptual dilemma for molecular orbital theory

Robert J. Deeth

原始摘要(英文原文)· Original abstract
configuration and metal oxidation state. In contrast, the %d components of canonical LCAO-type MOs used to invoke an ILF are unreliable descriptors and cannot be used to assign oxidation states. In general, ILFs have little chemical relevance but they are important here since they highlight several conceptual and numerical deficiencies of the theory which has underpinned the LFT-MO picture of TM systems for over 60 years.
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