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Observation of d‐Orbital Aromaticity
Author(s) -
Huang Xin,
Zhai HuaJin,
Kiran Boggavarapu,
Wang LaiSheng
Publication year - 2005
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200502678
Subject(s) - aromaticity , atomic orbital , molecular orbital , metal , electron , center (category theory) , oxide , chemistry , crystallography , x ray photoelectron spectroscopy , atomic physics , computational chemistry , physics , molecule , quantum mechanics , nuclear magnetic resonance , organic chemistry
The metal oxide clusters [W 3 O 9 ] − and [Mo 3 O 9 ] − were studied by photoelectron spectroscopy and theoretical calculations, which show that [W 3 O 9 ] and [Mo 3 O 9 ] both have a D 3 h 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.