OH NO! - Investigating the microsolvation of aminoxyl radicals via FTIR spectroscopy

Sennert, Elisabeth Katharina Maria Mercedes

dc.contributor.advisor	Suhm, Martin A. Prof. Dr.
dc.contributor.author	Sennert, Elisabeth Katharina Maria Mercedes
dc.date.accessioned	2025-12-02T18:50:09Z
dc.date.available	2025-12-09T00:50:05Z
dc.date.issued	2025-12-02
dc.identifier.uri	http://resolver.sub.uni-goettingen.de/purl?ediss-11858/16384
dc.identifier.uri	http://dx.doi.org/10.53846/goediss-11651
dc.format.extent	247	de
dc.language.iso	eng	de
dc.rights.uri	http://creativecommons.org/licenses/by/4.0/
dc.subject.ddc	540	de
dc.title	OH NO! - Investigating the microsolvation of aminoxyl radicals via FTIR spectroscopy	de
dc.type	doctoralThesis	de
dc.contributor.referee	Suhm, Martin A. Prof. Dr.
dc.date.examination	2025-09-29	de
dc.description.abstracteng	This work investigates complexes of stable organic radicals with halogenated alcohols using FTIR jet spectroscopy combined with quantum chemical calculations. Due to the formation of a hydrogen bond, the OH stretching vibration of the alcohol serves as a sensitive probe for the presence of a specific heterodimer (1:1) conformation in the supersonic expansion. The TEMPO (2,2,6,6-tetramethylpiperidinyloxyl) radical is combined with benzyl alcohol and its halogenated derivatives, which are investigated separately beforehand. Two main conformer types are identified, differing in the orientation of the alcohol relative to the radical. The preferred conformer can be controlled in subtle ways by introducing halogens of different sizes (F, Cl, Br, I) and at different positions to the aromatic system of benzyl alcohol. This variation of the alcohol reveals how the interplay between hydrogen bonding and dispersion forces affects the complex stability. The amount of dispersion interaction is quantified using local energy decomposition. Switching to the TEMPO derivative TEMPONE (4-oxo-TEMPO) shows that the additional carbonyl group can act as a hydrogen bond acceptor, competing with the radical NO side. Due to the chiral nature of TEMPONE, relative chirality becomes relevant for the complexes with the transiently chiral benzyl alcohol.	de
dc.contributor.coReferee	Bennati, Marina Prof. Dr.
dc.subject.eng	FTIR spectroscopy	de
dc.subject.eng	supersonic expansion	de
dc.subject.eng	vibrational spectroscopy	de
dc.subject.eng	hydrogen bonding	de
dc.subject.eng	alcohols	de
dc.subject.eng	radicals	de
dc.subject.eng	dispersion	de
dc.subject.eng	quantum chemical calculations	de
dc.identifier.urn	urn:nbn:de:gbv:7-ediss-16384-0
dc.affiliation.institute	Fakultät für Chemie	de
dc.subject.gokfull	Chemie (PPN62138352X)	de
dc.description.embargoed	2025-12-09	de
dc.identifier.ppn	1943569649
dc.notes.confirmationsent	Confirmation sent 2025-12-02T19:45:01	de

Files in this item

Name:Sennert_Doktorarbeit_Revision_eDiss.pdf

Size:68.09Mb

Format:PDF

Description:Dissertation

View/Open

Name:: Sennert_Doktorarbeit_Revision_ ...
Size:: 68.09Mb
Format:: PDF
Description:: Dissertation

View/Open

This item appears in the following Collection(s)

Fakultät für Chemie (inkl. GAUSS) [767]

Show simple item record