Laboratory Ir Spectra Of Protonated Fullerenes

Palotás, Julianna

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https://hdl.handle.net/2142/111566 Copy

Description

Title

Laboratory Ir Spectra Of Protonated Fullerenes

Author(s)

Palotás, Julianna

Contributor(s)

• Oomens, Jos
• Berden, Giel
• Martens, Jonathan K

Issue Date

2021-06-23

Keyword(s)

Large molecules

Abstract

With the detection of C$_{60}$, C$_{70}$ and C$_{60}^{+}$, the fullerenes constitute by far the largest molecular species individually identified in the interstellar medium (ISM). Proton affinities of C$_{60}$ and C$_{70}$ are significant which support the hypothesis that protonated fullerenes may also be abundant in the ISM. We present the experimental vibrational spectra of gaseous C$_{60}$H$^{+}$ and C$_{70}$H$^{+}$. Protonation of the highly symmetrical molecules causes a drastic symmetry lowering resulting in a rich vibrational spectrum. As compared to C$_{60}$, where all C-atoms are equivalent due to the icosahedral symmetry, C$_{70}$ belongs to the D$_{5h}$ point group and has five non-equivalent C-atoms, which are available as protonation sites. Combined analysis of the experimental spectrum and spectra computed at the density functional theory level enables us to evaluate the protonation isomers being formed. We compare the IR spectra of C$_{60}$H$^{+}$ and C$_{70}$H$^{+}$ to IR emission spectra from planetary nebulae, which suggests that a mixture of these fullerene analogues could contribute to their IR emission.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

Text

Language

eng

Permalink

http://hdl.handle.net/2142/111566

DOI

10.15278/isms.2021.WL04

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