Schwingungsspektroskopische Untersuchungen zur Chiralitätserkennung und Torsionsdynamik bei Alkoholen

Medel, Robert

dc.contributor.advisor	Suhm, Martin A. Prof. Dr.
dc.contributor.author	Medel, Robert
dc.date.accessioned	2020-10-20T14:34:23Z
dc.date.available	2020-10-20T14:34:23Z
dc.date.issued	2020-10-20
dc.identifier.uri	http://hdl.handle.net/21.11130/00-1735-0000-0005-14BC-1
dc.identifier.uri	http://dx.doi.org/10.53846/goediss-8197
dc.language.iso	deu	de
dc.publisher	Niedersächsische Staats- und Universitätsbibliothek Göttingen	de
dc.rights.uri	http://creativecommons.org/licenses/by-nc-nd/4.0/
dc.subject.ddc	540	de
dc.title	Schwingungsspektroskopische Untersuchungen zur Chiralitätserkennung und Torsionsdynamik bei Alkoholen	de
dc.type	doctoralThesis	de
dc.title.translated	Investigation of Chirality Recognition and Torsional Dynamics in Alcohols by Vibrational Spectroscopy	de
dc.contributor.referee	Suhm, Martin A. Prof. Dr.
dc.date.examination	2020-06-09
dc.description.abstracteng	In this thesis different implications of molecular chirality are explored by experimental and quantum chemical methods. Discriminating interactions between molecules of different handedness, termed chirality recognition, are one consequence of chirality. Another one is conformational variety in alcohols due to the accompanying low symmetry. In this context special attention is given to conformational interconversion, including quantum tunneling. To facilitate the comparison with theory, molecular systems are studied in an isolated and cooled condition in supersonic jet expansions. Experimental challenges arise because appropriate model systems, such as alcohol clusters, often feature constituents of low volatility. Strategies to optimize existing techniques and to explore new approaches are therefore another topic of this thesis. OH stretching vibrations are probed by linear FTIR and Raman spectroscopy. Among others, investigated molecular systems include a multitude of monomeric alcohols, clusters of methanol and ethanol up to the hexamer, dimers of benzyl alcohol and 1-phenylethanol as well as mixed dimers of alpha-pinene with different chiral alcohols. Semi-empirical models to predict experimental OH stretching wavenumbers and tunneling splittings of monomeric alcohols are presented. A more extensive summary of the results and a complete overview of investigated systems is available on pages V to IX.	de
dc.contributor.coReferee	Mata, Ricardo A. Prof. Dr.
dc.contributor.thirdReferee	Koszinowski, Konrad Prof. Dr.
dc.contributor.thirdReferee	Kruss, Sebastian Dr.
dc.contributor.thirdReferee	Bünermann, Oliver Dr.
dc.contributor.thirdReferee	Schäfer, Tim Dr.
dc.subject.eng	chirality recognition	de
dc.subject.eng	molecular clusters	de
dc.subject.eng	hydrogen bonding	de
dc.subject.eng	quantum chemistry	de
dc.subject.eng	benchmarking	de
dc.subject.eng	supersonic jet expansion	de
dc.subject.eng	tunneling splitting	de
dc.subject.eng	vibrational spectroscopy	de
dc.subject.eng	FTIR	de
dc.subject.eng	Raman	de
dc.subject.eng	alcohol	de
dc.identifier.urn	urn:nbn:de:gbv:7-21.11130/00-1735-0000-0005-14BC-1-1
dc.affiliation.institute	Fakultät für Chemie	de
dc.subject.gokfull	Chemie (PPN62138352X)	de
dc.identifier.ppn	1736064908

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