Sidewall Epoxidation of Single-Walled Carbon Nanotubes: A Theoretical Prediction

Xin Lu, Qinghong Yuan, Qianer Zhang

Research output: Contribution to journalArticlepeer-review

27 Scopus citations

Abstract

Equation presented. By means of a two-layered ONIOM approach, we predict that sidewall epoxidation of single-walled carbon nanotubes (SWNTs) with dioxiranes is viable. The SWNT epoxides thus produced could be precursors for further chemical modification of SWNTs, given the abundant and well-established chemistry of organic epoxides. This opens the door for routine chemical manipulation of SWNTs.

Original languageEnglish
Pages (from-to)3527-3530
Number of pages4
JournalOrganic Letters
Volume5
Issue number19
DOIs
StatePublished - 18 Sep 2003
Externally publishedYes

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