University of Illinois Urbana-Champaign

CARBONYL BANDS REPORT ON MOLECULAR STRUCTURE IN COMPLEX SPECTRA: CRYOGENIC ION SPECTROSCOPY OF METAL-CYCLAM COMPLEXES

Foreman, Madison M.

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7215.pdf
WA02_1.pptx

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https://hdl.handle.net/2142/122679

Description

Title
CARBONYL BANDS REPORT ON MOLECULAR STRUCTURE IN COMPLEX SPECTRA: CRYOGENIC ION SPECTROSCOPY OF METAL-CYCLAM COMPLEXES
Author(s)
Foreman, Madison M.
Contributor(s)
  • Weber, J. Mathias
  • Zagorec-Marks, Wyatt
Issue Date
2023-06-21
Keyword(s)
Mini-symposium: Spectroscopy with Cryogenic Ion Traps
Abstract
The feasibility of industrial scale electrocatalytic CO₂ reduction requires the development of catalysts that are both selective and efficient, making it imperative to understand the catalytic structure-function relationship to inform the design of improved catalysts. Nickel cyclam is a high-performing CO₂ reduction catalyst, and its derivatives have demonstrated differing catalytic abilities. Here, we present cryogenic gas-phase infrared spectra of a series of transition metal-cyclam derivative complexes of the form [M(II)·TEC]²⁺ (TEC = cyclam with four ethyl acetate substituents) and interpret spectral features using density functional theory calculations. The size and conformational flexibility of these complexes cause spectral congestion that complicates peak assignment. We address this challenge by utilizing the carbonyl stretching bands as spectroscopic reporters of molecular structure.
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
Text
Genre of Resource
Conference Paper / Presentation
Language
eng
Handle URL
https://hdl.handle.net/2142/122679
DOI
https://doi.org/10.15278/isms.2023.7215

Owning Collections

Abstracts & Presentations - 2023 International Symposium on Molecular Spectroscopy PRIMARY