University of Illinois Urbana-Champaign

STRUCTURAL INVESTIGATION OF HYDRATED ANIONIC PYRENE CLUSTERS WITH INFRARED SPECTROSCOPY

Salzmann, Heinrich

Content Files
6943.pdf
MJ04_1.pptx

Permalink

https://hdl.handle.net/2142/122390

Description

Title
STRUCTURAL INVESTIGATION OF HYDRATED ANIONIC PYRENE CLUSTERS WITH INFRARED SPECTROSCOPY
Author(s)
Salzmann, Heinrich
Contributor(s)
  • Weber, J. Mathias
  • Eaves, Joel D.
  • Rasmussen, Anne P.
  • LeMessurier, Natalie
Issue Date
2023-06-19
Keyword(s)
Comparing theory and experiment
Abstract
Hydrated pyrene anions are model systems for microsolvation and hydrogen bonded (H-bonded) networks on charged graphene like materials. Tandem mass spectrometry was employed to collect mass selected messenger-tag and photodis- sociation infrared (IR) spectra. Photodissociation spectra of cold cluster anions of the form C₁₆H₁₀−·(H₂O)n·Ar₂ (n=1-4) losing Argon upon irradiation are compared to spectra of warmer C₁₆H₁₀−·(H₂O)n (n=1-4) cluster anions. Structural and dynamic information about the H-bond network is encoded in OH stretching frequencies. Experimental IR spectra are compared to density functional theory calculations, and various cluster geometries are predicted. Generally, water molecules form H-bonds with other water molecules and with the excess charge in pyrene’s π-system. These binding motifs are compared to the ones found on anionic hydrated naphthalenes.
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
Text
Genre of Resource
Conference Paper / Presentation
Language
eng
Handle URL
https://hdl.handle.net/2142/122390
DOI
https://doi.org/10.15278/isms.2023.6943

Owning Collections

Abstracts & Presentations - 2023 International Symposium on Molecular Spectroscopy PRIMARY