<div class="csl-bib-body">
<div class="csl-entry">Turlik, A., Houk, K. N., & Svatunek, D. (2021). Origin of Increased Reactivity in Rhenium-Mediated Cycloadditions of Tetrazines. <i>Journal of Organic Chemistry</i>, <i>86</i>(18), 13129–13133. https://doi.org/10.1021/acs.joc.1c01564</div>
</div>
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dc.identifier.issn
0022-3263
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dc.identifier.uri
http://hdl.handle.net/20.500.12708/139084
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dc.description.abstract
Pyridyl tetrazines coordinated to metals like rhenium have been shown to be more reactive in [4 + 2] cycloadditions than their uncomplexed counterparts. Using density functional theory calculations, we found a more favorable interaction energy caused by stronger orbital interactions as the origin of this increased reactivity. Additionally, the high regioselectivity is due to a greater degree of charge stabilization in the transition state, leading to the major product.
en
dc.language.iso
en
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dc.publisher
AMER CHEMICAL SOC
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dc.relation.ispartof
Journal of Organic Chemistry
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dc.subject
Organic Chemistry
en
dc.subject
Cycloaddition Reaction
en
dc.subject
Heterocyclic Compounds
en
dc.subject
Rhenium
en
dc.title
Origin of Increased Reactivity in Rhenium-Mediated Cycloadditions of Tetrazines
en
dc.type
Artikel
de
dc.type
Article
en
dc.description.startpage
13129
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dc.description.endpage
13133
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dc.type.category
Original Research Article
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tuw.container.volume
86
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tuw.container.issue
18
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tuw.journal.peerreviewed
true
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tuw.peerreviewed
true
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wb.publication.intCoWork
International Co-publication
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tuw.researchTopic.id
X1
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C1
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tuw.researchTopic.name
außerhalb der gesamtuniversitären Forschungsschwerpunkte
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tuw.researchTopic.name
Computational Materials Science
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tuw.researchTopic.value
50
-
tuw.researchTopic.value
50
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dcterms.isPartOf.title
Journal of Organic Chemistry
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tuw.publication.orgunit
E163-03-2 - Forschungsgruppe Molekulare Chemie und Chemische Biologie
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tuw.publisher.doi
10.1021/acs.joc.1c01564
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dc.identifier.eissn
1520-6904
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dc.description.numberOfPages
5
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tuw.author.orcid
0000-0002-8387-5261
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tuw.author.orcid
0000-0003-1101-2376
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wb.sci
true
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wb.sciencebranch
Chemie
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wb.sciencebranch.oefos
1040
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wb.facultyfocus
Chemistry and Technology of Materials
de
wb.facultyfocus
Chemistry and Technology of Materials
en
wb.facultyfocus.faculty
E150
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restricted
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http://purl.org/coar/resource_type/c_2df8fbb1
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item.openairetype
research article
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item.languageiso639-1
en
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item.cerifentitytype
Publications
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item.fulltext
no Fulltext
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crisitem.author.dept
University of California, Los Angeles
-
crisitem.author.dept
E163-03-2 - Forschungsgruppe Molekulare Chemie und Chemische Biologie
-
crisitem.author.orcid
0000-0003-1101-2376
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crisitem.author.parentorg
E163-03 - Forschungsbereich Organische und Biologische Chemie
