All-metal antiaromatic molecule:: Rectangular Al44- in the Li3Al4- anion

被引：212

作者：

Kuznetsov, AE

Birch, KA

Boldyrev, AI

Li, X

Zhai, HJ

Wang, LS

机构：

[1] Washington State Univ, Dept Phys, Richland, WA 99352 USA

[2] Utah State Univ, Dept Chem & Biochem, Logan, UT 84322 USA

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

来源：

SCIENCE | 2003年 / 300卷 / 5619期

关键词：

D O I：

10.1126/science.1082477

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

We report the experimental and theoretical characterization of antiaromaticity in an all-metal system, Li3Al4-, which we produced by laser vaporization and studied with the use of photoelectron spectroscopy and ab initio calculations. The most stable structure of Li3Al4- found theoretically contained a rectangular Al-4(4-) tetraanion stabilized by the three Li+ ions in a capped octahedral arrangement. Molecular orbital analyses reveal that the rectangular Al-4(4-) tetraanion has four pi electrons, consistent with the 4n Huckel rule for antiaromaticity.

引用

页码：622 / 625

页数：4

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