期刊
CHEMPHYSCHEM
卷 11, 期 4, 页码 853-858出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cphc.200901027
关键词
borates; cluster compounds; density functional calculations; gold; photoelectron spectroscopy
资金
- Defense Threat Reduction Agency
- Deutsche Forschungsgemeinschaft
We report the discovery of a new class of clusters consisting of Au-n(BO2), that forms during the oxygenation of gold clusters when boron nitride is used as insulation in a pulsed-arc cluster ion source (PACIS) Photoelectron and mass spectroscopy of these clusters further revealed some remarkable properties: instead of the expected AunOm peaks, the mass spectra contain intense peaks corresponding to Au-n(BO2) composition. Some of the most predominant features of the electronic structure of the bare Au clusters, namely even-odd alternation in the electron affinity, are preserved in the Au-n(BO2) species. Most importantly, Au-n(BO2) [odd n] clusters possess unusually large electron affinity values for a closed-shell cluster, ranging from 2.8-3.5 eV. The open-shell Au-n(BO2) [even n] clusters on the other hand, possess electron affinities exceeding that of F, the most electronegative element in the periodic table. Using calculations based on density functional theory, we trace the origin of these species to the unusual stability and high electron affinity of the BO2 moiety. The resulting bond formed between BO2 and Au-n clusters preserves the geometric and electronic structure of the bare Au-n clusters. The large electron affinity of these clusters is due to the delocalization of the extra electron over the Au-n cluster.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据