Al4H7(-)是铝氢簇材料的一种韧性构建单元。
Al4H7(-) is a resilient building block for aluminum hydrogen cluster materials.
作者信息
Roach P J, Reber A C, Woodward W H, Khanna S N, Castleman A W
机构信息
Department of Chemistry, Pennsylvania State University, University Park, PA 16802, USA.
出版信息
Proc Natl Acad Sci U S A. 2007 Sep 11;104(37):14565-9. doi: 10.1073/pnas.0706613104. Epub 2007 Sep 6.
Abstract
The formation and oxygen etching of Al(n)H(m)(-) clusters are characterized in a flow reactor experiment with first-principles theoretical investigations to demonstrate the exceptional stability of Al(4)H(7)(-). The origin of the preponderance of Al(4)H(7)(-) in the mass spectra of hydrogenated aluminum anions and its resistance to O(2) etching are discussed. Al(4)H(7)(-) is shown to have the ability to bond with ionic partners to form stable hydrides through addition of an alkali atom [XAl(4)H(7) (X = Li-Cs)]. An intuitive model that can predict the existence of stable hydrogenated cluster species is proposed. The potential synthetic utility of the superatom assemblies built on these units is addressed.
摘要
通过流动反应器实验并结合第一性原理理论研究，对Al(n)H(m)(-)团簇的形成和氧蚀刻进行了表征，以证明Al(4)H(7)(-)具有卓越的稳定性。讨论了氢化铝阴离子质谱中Al(4)H(7)(-)占优势的原因及其对O(2)蚀刻的抗性。结果表明，Al(4)H(7)(-)能够与离子伙伴结合，通过添加碱金属原子[XAl(4)H(7) (X = Li-Cs)]形成稳定的氢化物。提出了一个可以预测稳定氢化团簇物种存在的直观模型。探讨了基于这些单元构建的超原子组装体的潜在合成用途。
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