Cycloaddition of Nitrile Oxides to Graphene: a Theoretical and Experimental Approach.
Helena UcetaMaría VizueteJosé R CarrilloMyriam BarrejónJosé Luis G FierroMaria Pilar PrietoFernando LangaPublished in: Chemistry (Weinheim an der Bergstrasse, Germany) (2019)
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).
Keyphrases
- density functional theory
- raman spectroscopy
- molecular dynamics
- high resolution
- room temperature
- carbon nanotubes
- walled carbon nanotubes
- magnetic resonance imaging
- magnetic resonance
- single molecule
- radiation therapy
- electron transfer
- mass spectrometry
- radiation induced
- radiofrequency ablation
- case control
- water soluble