Cycloaddition of Nitrile Oxides to Graphene: a Theoretical and Experimental Approach

被引：12

作者：

Uceta, Helena ^{[1
]}

Vizuete, Maria ^{[1
]}

Carrillo, Jose R. ^{[2
]}

Barrejon, Myriam ^{[1
]}

Fierro, Jose Luis G. ^{[3
]}

Pilar Prieto, Maria ^{[2
]}

Langa, Fernando ^{[1
]}

机构：

[1] Univ Castilla La Mancha, Inst Nanociencia Nanotecnol & Mat Mol INAMOL, Campus Fabr Armas, Toledo 45071, Spain

[2] Univ Castilla La Mancha, Fac Ciencias Tecnol & Quim, Dept Quim Inorgan Organ & Bioquim, E-13071 Ciudad Real, Spain

[3] CSIC, Inst Catalisis & Petroleoquim, E-28049 Madrid, Spain

来源：

CHEMISTRY-A EUROPEAN JOURNAL | 2019年 / 25卷 / 64期

关键词：

density functional calculations; graphene; isoxazoline; microwaves; MOLECULAR-ORBITAL METHODS; GAUSSIAN-TYPE BASIS; DENSITY FUNCTIONALS; COVALENT FUNCTIONALIZATION; ELECTRON-TRANSFER; CARBON NANOTUBES; CHEMISTRY; C-60; DERIVATIVES; EXFOLIATION;

D O I：

10.1002/chem.201903105

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Density functional theory (DFT) studies of the interaction between graphene sheets and nitrile oxides have proved the feasibility of the reaction through 1,3-dipolar cycloaddition. The viability of the approach has been also confirmed experimentally through the cycloaddition of few-layer exfoliated graphene and nitrile oxides containing functional organic groups with different electronic nature. The cycloaddition reaction has been successfully achieved in one-pot from the corresponding oximes under microwave (MW) irradiation. The successful formation of the isoxazoline ring has been confirmed by Raman spectroscopy, Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA) and X-ray photoelectron spectroscopy (XPS).

引用

页码：14644 / 14650

页数：7

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