Related Experiment Video
Updated: Apr 26, 2026

Microscopic Visualization of Porous Nanographenes Synthesized through a Combination of Solution and On-Surface Chemistry
Published on: March 4, 2021
Vibrationally resolved high-resolution NEXAFS and XPS spectra of phenanthrene and coronene
Giovanna Fronzoni1, Oscar Baseggio1, Mauro Stener1
1Dipartimento di Scienze Chimiche e Farmaceutiche, Università di Trieste, Via L. Giorgieri 1, I-34127 Trieste, Italy.
Abstract:
We performed a combined experimental and theoretical study of the C1s Near-Edge X-ray Absorption Fine-Structure (NEXAFS) spectroscopy and X-ray Photoelectron Spectroscopy in the gas phase of two polycyclic aromatic hydrocarbons (phenanthrene and coronene), typically formed in combustion reactions. In the NEXAFS of both molecules, a double-peak structure appears in the C1s → LUMO region, which differ by less than 1 eV in transition energies. The vibronic coupling is found to play an important role in such systems. It leads to weakening of the lower-energy peak and strengthening of the higher-energy one because the 0 - n (n > 0) vibrational progressions of the lower-energy peak appear in nearly the same region of the higher-energy peak. Vibrationally resolved theoretical spectra computed within the Frank-Condon (FC) approximation and linear coupling model agree well with the high-resolution experimental results. We find that FC-active normal modes all correspond to in-plane vibrations.
More Related Videos
Related Concept Videos
NMR Spectroscopy of Benzene Derivatives
2D NMR: Overview of Heteronuclear Correlation Techniques
NMR Spectroscopy of Aromatic Compounds
¹H NMR of Conformationally Flexible Molecules: Temporal Resolution
UV–Vis Spectroscopy of Conjugated Systems
One of the factors influencing λmax is...
¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR

