<div class="csl-bib-body">
<div class="csl-entry">Ramer, G., Hermann, D.-R., & Lendl, B. (2022, July 18). <i>Quantitation of Enantiomeric Excess from External Cavity Quantum Cascade VCD Spectra</i> [Poster Presentation]. The 32nd International Symposium on Chirality, Chicago, IL, United States of America (the).</div>
</div>
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dc.identifier.uri
http://hdl.handle.net/20.500.12708/153038
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dc.description.abstract
Vibrational circular dichroism (VCD) is an established technique for the analysis of chiral samples [1]. Currently, VCD is mainly employed for structure elucidation and identification of enantiomers, while its broad application for routine analysis mainly being impeded by the long measurement times (hours) typically associated with VCD spectral acquisition.
Our recently developed balanced detection external cavity quantum cascade laser (EC-QCL) based VCD device allows to acquire VCD spectra of several hundred wavenumber wide spectral ranges at signal to noise ratios comparable to state-of-the-art devices within a few minutes. This improved throughput enables the use of VCD as a tool for quantitative determination of enantiomeric excess (EE). In this work we investigate chemometric approaches for EE determination from EC-QCL-VCD using R/S-1,1′-Bi-2-naphthol (BINOL) in CHCl3 as a test case (see Figure 1). Our results show that careful preprocessing and variable selection (i.e. spectral range selection) are key to achieve low uncertainties when applying chemometrics to VCD data.
en
dc.description.sponsorship
FFG - Österr. Forschungsförderungs- gesellschaft mbH
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dc.language.iso
en
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dc.subject
Chirality; infrared; QCL; spectroscopy
en
dc.title
Quantitation of Enantiomeric Excess from External Cavity Quantum Cascade VCD Spectra
en
dc.type
Presentation
en
dc.type
Vortrag
de
dc.relation.grantno
868615
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dc.type.category
Poster Presentation
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tuw.project.title
Chemical Systems Engineering K1 Centre
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tuw.researchTopic.id
M2
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tuw.researchTopic.id
Q1
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tuw.researchTopic.id
M6
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tuw.researchTopic.name
Materials Characterization
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tuw.researchTopic.name
Photonics
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tuw.researchTopic.name
Biological and Bioactive Materials
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tuw.researchTopic.value
40
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tuw.researchTopic.value
50
-
tuw.researchTopic.value
10
-
tuw.publication.orgunit
E164-02-1 - Forschungsgruppe Prozessanalytik
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tuw.author.orcid
0000-0001-8307-5435
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tuw.author.orcid
0000-0003-3838-5842
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tuw.event.name
The 32nd International Symposium on Chirality
en
tuw.event.startdate
17-07-2022
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tuw.event.enddate
20-07-2022
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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
Chicago, IL
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tuw.event.country
US
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tuw.event.presenter
Ramer, Georg
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tuw.event.track
Multi Track
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wb.sciencebranch
Chemie
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wb.sciencebranch
Chemische Verfahrenstechnik
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wb.sciencebranch
Physik, Astronomie
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wb.sciencebranch.oefos
1040
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wb.sciencebranch.oefos
2040
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wb.sciencebranch.oefos
1030
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wb.sciencebranch.value
60
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wb.sciencebranch.value
15
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wb.sciencebranch.value
25
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item.openairetype
Presentation
-
item.openairetype
Vortrag
-
item.grantfulltext
none
-
item.cerifentitytype
Publications
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item.cerifentitytype
Publications
-
item.languageiso639-1
en
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item.openairecristype
http://purl.org/coar/resource_type/c_18cf
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item.openairecristype
http://purl.org/coar/resource_type/c_18cf
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item.fulltext
no Fulltext
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crisitem.project.funder
FFG - Österr. Forschungsförderungs- gesellschaft mbH
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crisitem.project.grantno
868615
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crisitem.author.dept
E164-02-1 - Forschungsgruppe Prozessanalytik
-
crisitem.author.dept
E164-02-1 - Forschungsgruppe Prozessanalytik
-
crisitem.author.dept
E164-02 - Forschungsbereich Umwelt-, Prozessanalytik und Sensoren
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crisitem.author.orcid
0000-0001-8307-5435
-
crisitem.author.orcid
0000-0003-3838-5842
-
crisitem.author.parentorg
E164-02 - Forschungsbereich Umwelt-, Prozessanalytik und Sensoren
-
crisitem.author.parentorg
E164-02 - Forschungsbereich Umwelt-, Prozessanalytik und Sensoren
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crisitem.author.parentorg
E164 - Institut für Chemische Technologien und Analytik