Cycloaddition of Nitrile Oxides to Graphene: a Theoretical and Experimental Approach |
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| Authors: | Helena Uceta Dr María Vizuete Dr José R Carrillo Dr Myriam Barrejón Prof José Luis G Fierro Dr Maria Pilar Prieto Prof Fernando Langa |
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| Institution: | 1. Instituto de Nanociencia, Nanotecnología y, Materiales Moleculares (INAMOL), Universidad de Castilla–La Mancha Campus de la Fábrica de Armas, 45071 Toledo, Spain;2. Departamento de Química Inorgánica, Orgánica y Bioquímica, Facultad de Ciencias y Tecnologías Químicas, Universidad de Castilla–La Mancha, 13071 Ciudad Real, Spain;3. Instituto de Catálisis y Petroleoquímica, CSIC, Cantoblanco, 28049 Madrid, Spain |
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| Abstract: | 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). |
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| Keywords: | density functional calculations graphene isoxazoline microwaves |
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