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...

ver descrição completa

Detalhes bibliográficos

Principais autores:	Laura Finazzi, Vincent J. Esposito, Julianna Palotás, Jonathan Martens, Els Peeters, Jan Cami, Giel Berden, Jos Oomens
Formato:	Artigo
Idioma:	Inglês
Publicado em:	IOP Publishing 2024-01-01
coleção:	The Astrophysical Journal
Assuntos:	Fullerenes Infrared spectroscopy Laboratory astrophysics Polycyclic aromatic hydrocarbons Astrochemistry
Acesso em linha:	https://doi.org/10.3847/1538-4357/ad6302
Tags:	Adicionar Tag Sem tags, seja o primeiro a adicionar uma tag!