Remarkable cleavage of molecular hydrogen without the use of metallic catalysts: a theoretical investigation

被引：28

作者：

Scott, AP ^{[1
]}

Golding, BT

Radom, L

机构：

[1] Australian Natl Univ, Res Sch Chem, Canberra, ACT 0200, Australia

[2] Newcastle Univ, Dept Chem, Newcastle Upon Tyne NE1 7RU, Tyne & Wear, England

来源：

NEW JOURNAL OF CHEMISTRY | 1998年 / 22卷 / 11期

关键词：

D O I：

10.1039/a806358c

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

High level ab initio molecular orbital calculations show that molecular hydrogen can be cleaved by the 1,3-dimethylimidazolidin-2-yl cation in the presence of a base such as NH3 or HCOO- with quite a modest barrier, in a reaction that models the non-metallic hydrogenase from methanogenic archaea.

引用

页码：1171 / 1173

页数：3

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