Al4H7- is a resilient building block for aluminum hydrogen cluster materials

被引：62

作者：

Roach, P. J.

Reber, A. C.

Woodward, W. H.

Khanna, S. N.

Castleman, A. W., Jr. ^{[1
]}

机构：

[1] Penn State Univ, Dept Chem & Phys, University Pk, PA 16802 USA

[2] Virginia Commonwealth Univ, Dept Phys, Richmond, VA 23284 USA

来源：

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA | 2007年 / 104卷 / 37期

关键词：

alanes; cluster-assembled materials; magic clusters; oxygen etching;

D O I：

10.1073/pnas.0706613104

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：

The formation and oxygen etching of AlnHm- clusters are characterized in a flow reactor experiment with first-principles theoretical investigations to demonstrate the exceptional stability of Al4H7-. The origin of the preponderance of Al4H7- in the mass spectra of hydrogenated aluminum anions and its resistance to 02 etching are discussed. Al4H7- is shown to have the ability to bond with ionic partners to form stable hydrides through addition of an alkali atom [XAl4H7 (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.

引用

页码：14565 / 14569

页数：5

共 29 条

[21] VARIATIONAL MESH FOR QUANTUM-MECHANICAL SIMULATIONS [J].