Theoretical study on all-metal aromatic complexes: all-metal aromatic hydrogen bond

被引：16

作者：

Hu, XB ^{[1
]}

Li, HR ^{[1
]}

Liang, WC ^{[1
]}

Han, SJ ^{[1
]}

机构：

[1] Zhejiang Univ, Dept Chem, Hangzhou 310027, Zhejiang City, Peoples R China

来源：

CHEMICAL PHYSICS LETTERS | 2005年 / 402卷 / 4-6期

基金：

中国国家自然科学基金;

关键词：

D O I：

10.1016/j.cplett.2004.12.106

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：

The recent advance of the aromaticity concept into the all-metal species enlightens us to explore whether there exist all-metal aromatic hydrogen bond. In order to find out the pure pi-H hydrogen bond, works have been performed to eliminate the possible effects induced by the two negative charges of Al-4(2-) and (AlH)-H-... metallic hydrogen bond. Interesting enough, the delocalized pi electron cloud of all-metal aromatic complexes could shield the interaction between aluminium atom and HF and only all-metal aromatic hvdrogen bond is observed in the vertical orientation. Our results reveal a new kind of hydrogen bond. (C) 2005 Elsevier B.V. All rights reserved.

引用

页码：539 / 543

页数：5

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