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  4. Deconvolution of the X-ray absorption spectrum of trans-1,3-butadiene with resonant Auger spectroscopy
 
research article

Deconvolution of the X-ray absorption spectrum of trans-1,3-butadiene with resonant Auger spectroscopy

Holland, David M. P.
•
Suchan, Jiri
•
Janos, Jiri
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March 25, 2024
Physical Chemistry Chemical Physics

High-resolution carbon K-edge X-ray photoelectron, X-ray absorption, non-resonant and resonant Auger spectra are presented of gas phase trans-1,3-butadiene alongside a detailed theoretical analysis utilising nuclear ensemble approaches and vibronic models to simulate the spectroscopic observables. The resonant Auger spectra recorded across the first pre-edge band reveal a complex evolution of different electronic states which remain relatively well-localised on the edge or central carbon sites. The results demonstrate the sensitivity of the resonant Auger observables to the weighted contributions from multiple electronic states. The gradually evolving spectral features can be accurately and feasibly simulated within nuclear ensemble methods and interpreted with the population analysis.

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Type
research article
DOI
10.1039/d4cp00053f
Web of Science ID

WOS:001190358400001

Author(s)
Holland, David M. P.
•
Suchan, Jiri
•
Janos, Jiri
•
Bacellar, Camila  
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Diniz Leroy, Ludmila Maria  
•
Barillot, Thomas Roland  
•
Longetti, Luca  
•
Coreno, Marcello
•
de Simone, Monica
•
Grazioli, Cesare
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Date Issued

2024-03-25

Publisher

Royal Soc Chemistry

Published in
Physical Chemistry Chemical Physics
Subjects

Physical Sciences

•

K-Shell Excitation

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Carbon 1S

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Photoelectron-Spectrum

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Ionization Energies

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Nuclear-Dynamics

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Decay Spectra

•

Core

•

Ethylene

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States

•

Raman

Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LSU  
FunderGrant Number

CALIPSOplus

730872

Carl Tygger Foundation

EU

21-26601X

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Available on Infoscience
April 17, 2024
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/207274
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