Related Experiment Video
Updated: Feb 18, 2026

High Resolution Phonon-assisted Quasi-resonance Fluorescence Spectroscopy
Published on: June 28, 2016
X-ray Emission Spectrum of Liquid Ethanol: Origin of Split Peaks
Osamu Takahashi1, Mathias P Ljungberg2, Lars G M Pettersson3
1Institute for Sustainable Sciences and Development, Hiroshima University , 1-3-1, Kagamiyama, Higashi-Hiroshima, 739-8526 Japan.
Abstract:
The X-ray emission spectrum of liquid ethanol was calculated using density functional theory and a semiclassical approximation to the Kramers-Heisenberg formula including core-hole-induced dynamics. Our spectrum agrees well with the experimental spectrum. We found that the intensity ratio between the two peaks at 526 and 527 eV assigned as 10a' and 3a″ depends not only on the hydrogen bonding network around the target molecule but also on the intramolecular conformation. This effect is absent in liquid methanol and demonstrates the high sensitivity of X-ray emission to molecular structure. The dependence of spectral features on hydrogen-bonding as well as on dynamical effects following core excitation are also discussed.
Related Concept Videos
Mass Spectrometry: Alcohol Fragmentation
¹H NMR: Complex Splitting
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied...
IR Spectrum Peak Splitting: Symmetric vs Asymmetric Vibrations
¹H NMR of Labile Protons: Temporal Resolution
The –OH proton in alcohols typically appears in the range of δ 2 to 5 ppm but can vary depending on the specific...
Mass Spectrometry: Molecular Fragmentation Overview
One type of fragmentation pattern is the cleavage of a single bond in the molecular ion. The cleavage leads to a radical and a cation. The cleavage can occur at...
Mass Spectrometry: Long-Chain Alkane Fragmentation

