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Cycloaddition of Nitrile Oxides to Graphene: a Theoretical and Experimental Approach
Author(s) -
Uceta Helena,
Vizuete María,
Carrillo José R.,
Barrejón Myriam,
Fierro José Luis G.,
Prieto Maria Pilar,
Langa Fernando
Publication year - 2019
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201903105
Subject(s) - nitrile , cycloaddition , graphene , x ray photoelectron spectroscopy , thermogravimetric analysis , fourier transform infrared spectroscopy , raman spectroscopy , materials science , density functional theory , spectroscopy , chemistry , photochemistry , organic chemistry , chemical engineering , computational chemistry , nanotechnology , catalysis , physics , optics , quantum mechanics , engineering
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).