<div class="csl-bib-body">
<div class="csl-entry">Muckenhuber, H., Welch, J. M., Sterba, J., & Pichler, V. (2025, March 26). <i>A Software for Calculating the Retention od CR(TMHD)3</i> [Conference Presentation]. 13th International Conference on Methods and Applications of Radioanalytical Chemistry (MARC XIII), Kona, United States of America (the). http://hdl.handle.net/20.500.12708/225840</div>
</div>
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dc.identifier.uri
http://hdl.handle.net/20.500.12708/225840
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dc.description.abstract
After the discovery of Szilard and Chalmers that atoms in a molecule, upon capturing a thermal neutron
and undergoing a de-excitation process, gain sufficient recoil energy to break the chemical bond and
become chemically separable [1], much effort was put into this field to investigate this effect. Retention,
or the percentage of finding the radioisotope in the original chemical form, was studied for many
compounds and lately, an experimental method was developed for tris(2,2,6,6-tetramethyl-3,5-
heptandionato)chromium(III), or Cr(tmhd)3 [2]. In this study, we present an investigation into retention
calculations utilizing a self-developed software tool designed to calculate recoil energies based on
experimental data from the International Atomic Energy Agency (IAEA). Considering every excited
nuclear state from the binding energy of a neutron down to the ground state and calculating the recoil
exerted, a value for retention was calculated. The obtained retention for Cr(tmhd)3 is in agreement with
the experimentally observed value, which amounts to 6.8% and 7-8%, respectively. Even for
metallocenes the calculated retention fits well, although not comparable to experimental data due to
lack of in-depth investigations of retention. Although this software seems to yield fitting results for some
compounds, a more detailed description of the process is necessary to get a glimpse of this highly
dynamic picture that puts the models of physics and chemistry to the test. [1] Szilard L, Chalmers T A
1934 Nature 134 462. [2] Pichler V et al 2022 J Radioanal Nucl Chem 331 5067-5079
en
dc.description.sponsorship
FFG - Österr. Forschungsförderungs- gesellschaft mbH
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dc.language.iso
en
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dc.subject
Szilard Chalmers Effect
en
dc.subject
neutron activation analysis
en
dc.subject
radioactivity
en
dc.subject
organometallic chemistry
en
dc.subject
Retention
en
dc.title
A Software for Calculating the Retention od CR(TMHD)3
en
dc.type
Presentation
en
dc.type
Vortrag
de
dc.relation.grantno
201410202‐FV01, 2011205‐DV03
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dc.type.category
Conference Presentation
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tuw.project.title
COMET K2 Exzellenzzentrums für Tribologie
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tuw.researchinfrastructure
TRIGA Mark II-Nuklearreaktor
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tuw.researchTopic.id
M2
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tuw.researchTopic.id
C6
-
tuw.researchTopic.id
C1
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tuw.researchTopic.name
Materials Characterization
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tuw.researchTopic.name
Modeling and Simulation
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tuw.researchTopic.name
Computational Materials Science
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tuw.researchTopic.value
30
-
tuw.researchTopic.value
10
-
tuw.researchTopic.value
60
-
tuw.publication.orgunit
E057-14 - Fachbereich TRIGA Center Atominstitut
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tuw.author.orcid
0000-0002-7883-8861
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tuw.author.orcid
0000-0003-1704-4037
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tuw.event.name
13th International Conference on Methods and Applications of Radioanalytical Chemistry (MARC XIII)
en
tuw.event.startdate
23-03-2025
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tuw.event.enddate
28-03-2025
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tuw.event.online
On Site
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tuw.event.type
Event for scientific audience
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tuw.event.place
Kona
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tuw.event.country
US
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tuw.event.presenter
Muckenhuber, Helmut
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tuw.event.track
Multi Track
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wb.sciencebranch
Chemie
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wb.sciencebranch
Andere Naturwissenschaften
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wb.sciencebranch
Physik, Astronomie
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wb.sciencebranch.oefos
1040
-
wb.sciencebranch.oefos
1070
-
wb.sciencebranch.oefos
1030
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wb.sciencebranch.value
35
-
wb.sciencebranch.value
20
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wb.sciencebranch.value
45
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item.fulltext
no Fulltext
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item.languageiso639-1
en
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item.cerifentitytype
Publications
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item.grantfulltext
none
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item.openairecristype
http://purl.org/coar/resource_type/c_18cp
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item.openairetype
conference paper not in proceedings
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crisitem.project.funder
FFG - Österr. Forschungsförderungs- gesellschaft mbH
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crisitem.project.grantno
201410202‐FV01, 2011205‐DV03
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crisitem.author.dept
E057-14-2 - Fachgruppe Center of Labelling and Isotope Production (CLIP)
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crisitem.author.dept
E057-14-2 - Fachgruppe Center of Labelling and Isotope Production (CLIP)
-
crisitem.author.dept
E057-14-2 - Fachgruppe Center of Labelling and Isotope Production (CLIP)
-
crisitem.author.dept
E057-14-2 - Fachgruppe Center of Labelling and Isotope Production (CLIP)
