Deconvolution of the X-ray absorption spectrum of trans-1,3-butadiene with resonant Auger spectroscopy
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F24%3A43929154" target="_blank" >RIV/60461373:22340/24:43929154 - isvavai.cz</a>
Result on the web
<a href="https://pubs.rsc.org/en/content/articlelanding/2024/cp/d4cp00053f" target="_blank" >https://pubs.rsc.org/en/content/articlelanding/2024/cp/d4cp00053f</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/d4cp00053f" target="_blank" >10.1039/d4cp00053f</a>
Alternative languages
Result language
angličtina
Original language name
Deconvolution of the X-ray absorption spectrum of trans-1,3-butadiene with resonant Auger spectroscopy
Original language description
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.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
<a href="/en/project/GX21-26601X" target="_blank" >GX21-26601X: Probing and Transforming Matter by Electrons in Liquid Jets</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2024
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
ISSN
1463-9076
e-ISSN
1463-9084
Volume of the periodical
26
Issue of the periodical within the volume
21
Country of publishing house
GB - UNITED KINGDOM
Number of pages
13
Pages from-to
15130-15142
UT code for WoS article
001190358400001
EID of the result in the Scopus database
2-s2.0-85194742926