Experimental Determination of the Unusual CH Stretch Frequency of Protonated Fullerenes

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...

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Bibliographic Details
Main Authors: Laura Finazzi, Vincent J. Esposito, Julianna Palotás, Jonathan Martens, Els Peeters, Jan Cami, Giel Berden, Jos Oomens
Format: Article
Language:English
Published: IOP Publishing 2024-01-01
Series:The Astrophysical Journal
Subjects:
Fullerenes
Infrared spectroscopy
Laboratory astrophysics
Polycyclic aromatic hydrocarbons
Astrochemistry
Online Access:https://doi.org/10.3847/1538-4357/ad6302

Internet

https://doi.org/10.3847/1538-4357/ad6302

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