Gutenberg Open Science: Experimental and theoretical investigation on the thermal isomerization reaction of tristriazolotriazines

Please use this identifier to cite or link to this item: http://doi.org/10.25358/openscience-8758

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DC Field	Value	Language
dc.contributor.author	Jochem, Matthias	-
dc.contributor.author	Limbach, Daniel	-
dc.contributor.author	Glang, Stefan	-
dc.contributor.author	Haspel, Tobias	-
dc.contributor.author	Detert, Heiner	-
dc.date.accessioned	2023-02-02T11:05:03Z	-
dc.date.available	2023-02-02T11:05:03Z	-
dc.date.issued	2022	-
dc.identifier.uri	https://openscience.ub.uni-mainz.de/handle/20.500.12030/8774	-
dc.description.abstract	The isomerization of tristriazolotriazione with tangential substituents to radial isomers occurs in a cascade of three ring opening/rotation/ring closure steps of the central triazine. Donor substitution accelerates the isomerization which can be catalyzed by Brønsted acids. The velocity of the rearrangements drops with each step by a factor of 4, whereas the gain in heat of formation increases. Density functional theory (DFT) calculations led to transition states; their energies correspond to the experimental data. Threefold isomerization strongly affects the mesomorphic properties.	en_GB
dc.description.sponsorship	Gefördert durch die Deutsche Forschungsgemeinschaft (DFG) – Projektnummer 491381577	de
dc.language.iso	eng	de
dc.rights	CC BY-NC-ND	*
dc.rights.uri	https://creativecommons.org/licenses/by-nc-nd/4.0/	*
dc.subject.ddc	540 Chemie	de_DE
dc.subject.ddc	540 Chemistry and allied sciences	en_GB
dc.title	Experimental and theoretical investigation on the thermal isomerization reaction of tristriazolotriazines	en_GB
dc.type	Zeitschriftenaufsatz	de
dc.identifier.doi	http://doi.org/10.25358/openscience-8758	-
jgu.type.contenttype	Scientific article	de
jgu.type.dinitype	article	en_GB
jgu.type.version	Published version	de
jgu.type.resource	Text	de
jgu.organisation.department	FB 09 Chemie, Pharmazie u. Geowissensch.	de
jgu.organisation.number	7950	-
jgu.organisation.name	Johannes Gutenberg-Universität Mainz	-
jgu.rights.accessrights	openAccess	-
jgu.journal.title	Journal of physical organic chemistry	de
jgu.journal.volume	35	de
jgu.journal.issue	7	de
jgu.pages.alternative	4346	de
jgu.publisher.year	2022	-
jgu.publisher.name	John Wiley & Sons, Ltd	de
jgu.publisher.place	Chichester	de
jgu.publisher.issn	1099-1395	de
jgu.organisation.place	Mainz	-
jgu.subject.ddccode	540	de
jgu.publisher.doi	10.1002/poc.4346	de
jgu.organisation.ror	https://ror.org/023b0x485	-
jgu.subject.dfg	Naturwissenschaften	de
Appears in collections:	DFG-491381577-H

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