OPTICAL SPECTRA OF N-SUBSTITUTED ADAMANTANE CATIONS

Crandall, Parker B.

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Description

Title

OPTICAL SPECTRA OF N-SUBSTITUTED ADAMANTANE CATIONS

Author(s)

Crandall, Parker B.

Contributor(s)

• Dopfer, Otto
• Förstel, Marko

Issue Date

2023-06-19

Keyword(s)

Mini-symposium: Spectroscopy with Cryogenic Ion Traps

Abstract

Diamondoids are a class of aliphatic molecules arranged in cage-like structures and serve as a link between small, cyclic hydrocarbons and bulk nanodiamonds. They are well-known for their interesting optical properties, as they typically exhibit large optical band gaps of around 6 eV or higher. Their radical cations, however, are predicted to display transitions in the visible and, due to their favorable structural and optical properties, may be viable candidates as carriers of the diffuse interstellar bands. So far, only the optical spectra of adamantane and diamantane cations have been measured, which exhibit broad and mostly vibronically unresolved features. To explore the effects of functionalization, we report the first optical spectra of N-substituted adamantane cations, namely 1-cyanoadamantane (C₁₁H₁₅N⁺) and urotropine ((CH)₆N₄⁺) between 260 and 1200 nm in the gas phase. Measurements were taken in a tandem mass spectrometer by photodissociation of mass-selected ions cooled in a cryogenic 22-pole ion trap held at 5K. The experimental results are compared to photoelectron spectra and time-dependent DFT calculations for interpretation.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

Text

Language

eng

Handle URL

https://hdl.handle.net/2142/122569

DOI

https://doi.org/10.15278/isms.2023.7058

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