Electronic properties of substituted aluminum clusters by boron and carbon atoms (AlnB-m/AlnC-m);: new insights into s-p hybridization and perturbed shell structures

被引：57

作者：

Kawamata, H

Negishi, Y

Nakajima, A

Kaya, K

机构：

[1] Keio Univ, Fac Sci & Technol, Dept Chem, Kohoku Ku, Yokohama, Kanagawa 2238522, Japan

[2] Inst Mol Sci, Okazaki, Aichi 4448585, Japan

来源：

CHEMICAL PHYSICS LETTERS | 2001年 / 337卷 / 4-6期

基金：

日本学术振兴会;

关键词：

D O I：

10.1016/S0009-2614(01)00198-1

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Substituted Al clusters with 8 atom, which is trivalent but smaller than Al atom, or with covalent C atom were investigated using photoelectron spectroscopy (PES). In Aln-mBm- (n greater than or equal to 5 for m = 1, n greater than or equal to 10 for m = 2), three valence electrons of each B atom as well as Al atom contribute to electron shell structures, while the C atom strongly binds two free electrons from Al-n(-) in AlnC- (n = 5-30). The substitution with B atom allowed us to determine that s-p mixing starts at n = 6 in pure Al clusters. Perturbed electron shells and the geometry of Al12B1- Al11B2-. and Al12C- are discussed. (C) 2001 Elsevier Science B.V. All rights reserved.

引用

页码：255 / 262

页数：8

共 25 条

[1] The electronic structure and chemical bonding of hypermetallic Al5C by ab initio calculations and anion photoelectron spectroscopy [J].