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Intermolecular energy scales based on aromatic ethers and alcohols

dc.contributor.advisorSuhm, Martin A. Prof. Dr.
dc.contributor.authorPoblotzki, Anja
dc.date.accessioned2019-09-03T09:30:18Z
dc.date.available2019-09-03T09:30:18Z
dc.date.issued2019-09-03
dc.identifier.urihttp://hdl.handle.net/21.11130/00-1735-0000-0003-C1AD-0
dc.identifier.urihttp://dx.doi.org/10.53846/goediss-7629
dc.identifier.urihttp://dx.doi.org/10.53846/goediss-7629
dc.language.isoengde
dc.publisherNiedersächsische Staats- und Universitätsbibliothek Göttingende
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/
dc.subject.ddc540de
dc.titleIntermolecular energy scales based on aromatic ethers and alcoholsde
dc.typedoctoralThesisde
dc.contributor.refereeSuhm, Martin A. Prof. Dr.
dc.date.examination2019-03-20
dc.description.abstractengThe interplay between London dispersion interactions and hydrogen bonding is investigated by the binding preference of molecular scale systems in the gas phase. These molecular complexes consist of small alcohol molecules docking to furan derivatives by either OH–O or OH–π hydrogen bonds. Vibrational spectra are compared to the results of quantum chemical calculations. Multi-spectroscopic approaches are applied to add to the reliability of the band assignment. The obtained experimental results may serve as test cases for the performance of quantum chemical methods.de
dc.contributor.coRefereeMata, Ricardo A. Prof. Dr.
dc.contributor.thirdRefereeBehler, Jörg Prof. Dr.
dc.contributor.thirdRefereeBünermann, Oliver Dr.
dc.contributor.thirdRefereeSchäfer, Tim Dr.
dc.contributor.thirdRefereeStalke, Dietmar Prof. Dr.
dc.subject.engmolecular clustersde
dc.subject.engvibrational spectroscopyde
dc.subject.engintermolecular interactionsde
dc.subject.enghydrogen bondsde
dc.subject.engLondon dispersionde
dc.subject.engquantum chemistryde
dc.subject.engsupersonic expansionsde
dc.identifier.urnurn:nbn:de:gbv:7-21.11130/00-1735-0000-0003-C1AD-0-1
dc.affiliation.instituteFakultät für Chemiede
dc.subject.gokfullChemie  (PPN62138352X)de
dc.identifier.ppn1675862524


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