Experimental Determination of the Unusual CH Stretch Frequency of Protonated Fullerenes
We report experimental values for the CH stretch frequencies of the protonated fullerenes C _60 H ^+ and C _70 H ^+ . Anharmonic frequency calculations at the B3LYP/6-31G level of theory, which are independent of empirical scaling factors, reproduce the experimental values to within approximately 5...
Guardat en:
| Autors principals: | , , , , , , , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
IOP Publishing
2024-01-01
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| Col·lecció: | The Astrophysical Journal |
| Matèries: | |
| Accés en línia: | https://doi.org/10.3847/1538-4357/ad6302 |
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