A theoretical study on a fullerene derivative C54N4 and some of its protonated forms |
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Authors: | Lemi Türker |
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Institution: | Department of Chemistry, Middle East Technical University, Ankara 06531, Turkey |
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Abstract: | Semiempirical quantum chemical calculations at the level of AM1 (restricted Hartree–Fock) have been performed on a fullerene derivative, C54N4, theoretically obtained from C60 and its mono and diprotonated forms. All these structures are stable, but endothermic in nature. Some calculated geometrical and physicochemical properties of these have also been reported. |
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Keywords: | Fullerenes Fullerene derivatives C54N4 C60 Protonation |
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