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Updated: May 21, 2025

In situ FTIR Spectroscopy as a Tool for Investigation of Gas/Solid Interaction: Water-Enhanced CO2 Adsorption in UiO-66 Metal-Organic Framework
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In situ FTIR Spectroscopy as a Tool for Investigation of Gas/Solid Interaction: Water-Enhanced CO2 Adsorption in UiO-66 Metal-Organic Framework

Published on: February 1, 2020

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CO2の陽子源を解明する Cu{100}の電気還元

Dongfang Cheng1, Ziyang Wei2,3, Philippe Sautet1,2,4

  • 1Department of Chemical and Biomolecular Engineering, University of California, Los Angeles, California 90095, United States.

Journal of the American Chemical Society
|March 20, 2025
PubMed
まとめ

ランダム・フェーズ・アプロシマーション (RPA) 方法は,銅の電気化学的CO2減少反応 (CO2RR) のプロトンの源として表面水を明らかにし,DFT-GGAの予測とは異なる.

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The probability of having two carbon-13 atoms next to each other is negligible because of the low natural abundance of carbon-13. Consequently, peak splitting due to carbon-carbon spin-spin coupling is not observed in spectra. However, protons up to three sigma bonds away split the carbon signal according to the n+1 rule, resulting in complicated spectra.
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Protons bonded to heteroatoms such as nitrogen and oxygen exhibit a range of chemical shift values. This is due to the varying degree of hydrogen bonding between the proton and the heteroatom in other molecules. The extent of hydrogen bonding affects the electron density around the proton, thereby giving different chemical shift values for the protons in the proton NMR spectrum.
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