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

Foreman, Madison M.

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

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

Language

eng

Handle URL

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

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