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Observation of d‐Orbital Aromaticity

2005/10/17 by Xin Huang, Hua‐Jin Zhai, Boggavarapu Kiran +1 · 1 citation
Chemistry · Materials Science · #Synthesis and Properties of Aromatic Compounds #Organometallic Complex Synthesis and Catalysis #Polyoxometalates: Synthesis and Applications

paper · doi:10.1002/anie.200502678

openalex publication_date 2005/10/17 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/25

Abstract

The metal oxide clusters [W3O9]− and [Mo3O9]− were studied by photoelectron spectroscopy and theoretical calculations, which show that [W3O9] and [Mo3O9] both have a D3h structure with a low-lying unoccupied molecular orbital formed from the metal d orbitals. Occupation of this orbital by one or two electrons leads to aromatic anions (see picture) with strong three-center, one-electron and three-center, two-electron metal–metal bonds, respectively.

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