Activity of carboxylic groups on armchair and zigzag carbon nanotube tips: A theoretical study of esterification with methanol

被引：41

作者：

Basiuk, VA ^{[1
]}

机构：

[1] Yokohama Natl Univ, Fac Engn, Dept Chem & Biotechnol, Hodogaya Ku, Yokohama, Kanagawa 2408501, Japan

来源：

NANO LETTERS | 2002年 / 2卷 / 08期

关键词：

D O I：

10.1021/nl025607n

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A theoretical study of gas-phase esterification of monocarboxy fragments of armchair (10,10) and zigzag (16,0) single-walled carbon nanotubes (SWNTs) with methanol was performed by using a two-level ONIOM approach. The results suggest that the reaction is favorable on armchair SWNT tips, contrary to that on the zigzag nanotube tips. Gas-phase esterification might be a route to selective derivatization of different forms of carbon nanotubes.

引用

页码：835 / 839

页数：5

共 36 条

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