Observation of d-orbital aromaticity

被引：185

作者：

Huang, X

Zhai, HJ

Kiran, B

Wang, LS

机构：

[1] Washington State Univ, Dept Phys, Richland, WA 99354 USA

[2] Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA

[3] Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, Richland, WA 99352 USA

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2005年 / 44卷 / 44期

关键词：

aromaticity; cluster compounds; density; functional calculations; metal-metal interactions; photoelectron spectroscopy;

D O I：

10.1002/anie.200502678

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

(Chemical Equation Presented) The metal oxide clusters [W3O 9]- 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. © 2005 Wiley-VCH Verlag GmbH & Co. KGaA.

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页码：7251 / 7254

页数：4

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