mycoreobjectrosdok_disshab_0000002645rosdok_disshab_0000002645rosdokdisshabrosdok_derivate_00001069022023-08-08T10:13:35.489Z2021-12-07T10:22:13.104ZadministratoreditorMSpublished1rosdok_derivate_0000106902truetruederivate_types:fulltextVolltextfulltextwf_edit_epub wf_register_epubstate:publishedstate:publishedveröffentlichtpublishedrosdok/id000033941780512856Oau2021-12-072023-08-05T19:18:50ZrdaConverted from PICA to MODS using Pica2Mods XSLT Transformer 2.7 [SCM: "0c0e7a3c226a4a0cbcbec39b493c3c5257339ab8" "v2.7" "2023-08-04T00:00:00+0200"] with mode 'DEFAULT'.DissertationHochschulschriftHydrogen bond lifetimes and equilibria in hydroxyl-functionalized ionic liquidsThis work investigates the hydrogen bond (HB) lifetimes and equilibrium in hydroxyl-functionalized pyridinium-based ionic liquids. Two types of intermolecular HBs are observed: typical cation-anion HBs are competing with atypical cation-cation HBs . By employing molecular dynamics simulations, the equilibrium between those HBs was examined as a function of temperature and alkyl chain length. In addition, the influence of the different HBs on the structure and dynamics of the ionic liquid are discussed. Also, HB lifetimes where examined.JanNeumann1992 -VerfasserInaut1247047768RalfLudwig1961 -AkademischeR BetreuerIndgs136437524Universität Rostock, GermanyImreBakóAkademischeR BetreuerIndgsResearch Centre for Natural Sciences, Budapest, Hungary38329-6Universität Rostock1419 -Grad-verleihende Institutiondgg2147083-2Universität RostockMathematisch-Naturwissenschaftliche FakultätGrad-verleihende Institutiondgghttp://purl.uni-rostock.de/rosdok/id00003394urn:nbn:de:gbv:28-rosdok_id00003394-210.18453/rosdok_id00003394500 Naturwissenschaften540 ChemieMathematisch-Naturwissenschaftliche FakultätCC BY-NC 4.0Nutzungsrechte erteiltLizenz Metadaten: CC0frei zugänglich (Open Access)en2021Universität RostockRostockmonographic202120212021Universitätsbibliothek RostockRostock2021Universitätsbibliothek Rostockhttp://purl.uni-rostock.de/rosdok/id00003394Enthält ZeitschriftenartikelRalf Ludwig (Universität Rostock, Germany) ; Imre Bakó (Research Centre for Natural Sciences, Budapest, Hungary)[{"affil":"Universität Rostock, Germany","name":"Ludwig, Ralf"},{"affil":"Research Centre for Natural Sciences, Budapest, Hungary","name":"Bakó, Imre"}]vorgelegt von Jan NeumannWasserstoffbrückenbindungPhysikalische ChemieIonische FlüssigkeitUniversität Rostock, GermanyLudwig, RalfResearch Centre for Natural Sciences, Budapest, HungaryBakó, Imredoctype:epubdoctype:epubDokumenttypDocument typedoctype:epub.dissertationdoctype:epub.dissertationDissertationdoctoral thesisdiniPublType:doctoralThesis diniPublType2022:PhDThesis XMetaDissPlusThesisLevel:thesis.doctoralinfo:eu-repo/semantics/doctoralThesisdocumentnatureOfContent:ppn_105825778natureOfContent:ppn_105825778HochschulschriftdiniPublType2022:DoctoralThesisdiniPublType2022:DoctoralThesisDissertation oder HabilitationDoctoral thesisDRIVERdiniPublType2022:PhDThesisdiniPublType2022:PhDThesisDissertationPhD thesisKDSF (Pu34)XMetaDissPlusThesisLevel:thesis.doctoralXMetaDissPlusThesisLevel:thesis.doctoralDoktorarbeitdoctoral thesisSDNB:500SDNB:500500 Naturwissenschaften500 Natural sciencesSDNB:540SDNB:540540 Chemie540 Chemistry & allied sciencesinstitution:unirostockinstitution:unirostockUniversität RostockUniversity of RostockUniversität RostockUniversität RostockUni.Rostockhttp://d-nb.info/gnd/38329-6institution:unirostock.mnfinstitution:unirostock.mnfMathematisch-Naturwissenschaftliche FakultätFaculty of Mathematics and Natural SciencesUniversität Rostock. Mathematisch-Naturwissenschaftliche FakultätMathematisch-Natur-<br />wissenschaftliche FakultätUni.Rostock.Fakultaet.MNFhttp://d-nb.info/gnd/2147083-2licenseinfo:worklicenseinfo:workWerkworklicenseinfo:work.cclicenselicenseinfo:work.cclicenseCC-LizenzCC-licenselicenseinfo:work.cclicense.cc-by-nclicenseinfo:work.cclicense.cc-by-ncCC BY-NCCC BY-NClicenseinfo:work.cclicense.cc-by-nc.v40licenseinfo:work.cclicense.cc-by-nc.v40CC BY-NC 4.0CC BY-NC 4.0/creativecommons/l/by-nc/4.0/88x31.png[DE-28]Namensnennung - Nicht kommerziell 4.0 International$cCC BY-NC 4.0$gCreative Commons$uhttps://creativecommons.org/licenses/by-nc/4.0/https://creativecommons.org/licenses/by-nc/4.0/https://creativecommons.org/licenses/by-nc/4.0/licenseinfo:depositlicenseinfo:depositVeröffentlichungsgenehmigungpermission to storelicenseinfo:deposit.rightsgrantedlicenseinfo:deposit.rightsgrantedNutzungsrechte erteiltrights grantedlicenseinfo:metadatalicenseinfo:metadataLizenzen für Metadatenlicenseinfo:metadata.cc0licenseinfo:metadata.cc0Lizenz Metadaten: CC0license metadata: CC0/creativecommons/p/zero/1.0/88x31.pnghttps://creativecommons.org/publicdomain/zero/1.0/accesscondition:openaccessaccesscondition:openaccessfrei zugänglich (Open Access)open accesshttp://purl.org/coar/access_right/c_abf2OAfreeinfo:eu-repo/semantics/openAccess[DE-28]Open Access$gControlled Vocabulary for Access Rights$uhttp://purl.org/coar/access_right/c_abf2rfc5646:enrfc5646:enEnglischEnglishengengHydrogen bond lifetimes and equilibria in hydroxyl-functionalized ionic liquidsHydrogen bond lifetimes and equilibria in hydroxyl-functionalized ionic liquidsgnd:1247047768gnd:136437524gnd:38329-6gnd:2147083-2gnd:1247047768gnd:136437524gnd:38329-6gnd:2147083-2rosdok_disshab_0000002645-d1004632e52gnd:1247047768Jan NeumannJan Neumannrosdok_disshab_0000002645-d1004632e66gnd:136437524Ralf LudwigRalf Ludwigrosdok_disshab_0000002645-d1004632e81Imre BakóImre Bakórosdok_disshab_0000002645-d1004632e92gnd:38329-6Universität RostockUniversität Rostockrosdok_disshab_0000002645-d1004632e104gnd:2147083-2Universität Rostock Mathematisch-Naturwissenschaftliche FakultätUniversität Rostock Mathematisch-Naturwissenschaftliche FakultätJan NeumannRalf LudwigImre BakóUniversität RostockUniversität Rostock Mathematisch-Naturwissenschaftliche FakultätJan NeumannRalf LudwigImre BakóUniversität RostockUniversität Rostock Mathematisch-Naturwissenschaftliche FakultätJan NeumannRostockUniversität Rostockepub.dissertationhttp://purl.uni-rostock.de/rosdok/id00003394urn:nbn:de:gbv:28-rosdok_id00003394-210.18453/rosdok_id00003394WasserstoffbrückenbindungPhysikalische ChemieIonische FlüssigkeitThis work investigates the hydrogen bond (HB) lifetimes and equilibrium in hydroxyl-functionalized pyridinium-based ionic liquids. Two types of intermolecular HBs are observed: typical cation-anion HBs are competing with atypical cation-cation HBs . By employing molecular dynamics simulations, the equilibrium between those HBs was examined as a function of temperature and alkyl chain length. In addition, the influence of the different HBs on the structure and dynamics of the ionic liquid are discussed. Also, HB lifetimes where examined.20212021Enthält ZeitschriftenartikelRalf Ludwig (Universität Rostock, Germany) ; Imre Bakó (Research Centre for Natural Sciences, Budapest, Hungary)[{"affil":"Universität Rostock, Germany","name":"Ludwig, Ralf"},{"affil":"Research Centre for Natural Sciences, Budapest, Hungary","name":"Bakó, Imre"}]vorgelegt von Jan Neumannepub.dissertation1 Neumann_Dissertation_2021.pdf 24102596 748f70d31ba7c0e2300b7aeb527614d7 rosdok/id000033941780512856Oau2021-12-072023-08-05T19:18:50ZrdaConverted from PICA to MODS using Pica2Mods XSLT Transformer 2.7 [SCM: "0c0e7a3c226a4a0cbcbec39b493c3c5257339ab8" "v2.7" "2023-08-04T00:00:00+0200"] with mode 'DEFAULT'.DissertationHochschulschriftHydrogen bond lifetimes and equilibria in hydroxyl-functionalized ionic liquidsThis work investigates the hydrogen bond (HB) lifetimes and equilibrium in hydroxyl-functionalized pyridinium-based ionic liquids. Two types of intermolecular HBs are observed: typical cation-anion HBs are competing with atypical cation-cation HBs . By employing molecular dynamics simulations, the equilibrium between those HBs was examined as a function of temperature and alkyl chain length. In addition, the influence of the different HBs on the structure and dynamics of the ionic liquid are discussed. Also, HB lifetimes where examined.JanNeumann1992 -VerfasserInaut1247047768RalfLudwig1961 -AkademischeR BetreuerIndgs136437524Universität Rostock, GermanyImreBakóAkademischeR BetreuerIndgsResearch Centre for Natural Sciences, Budapest, Hungary38329-6Universität Rostock1419 -Grad-verleihende Institutiondgg2147083-2Universität RostockMathematisch-Naturwissenschaftliche FakultätGrad-verleihende Institutiondgghttp://purl.uni-rostock.de/rosdok/id00003394urn:nbn:de:gbv:28-rosdok_id00003394-210.18453/rosdok_id00003394500 Naturwissenschaften540 ChemieMathematisch-Naturwissenschaftliche FakultätCC BY-NC 4.0Nutzungsrechte erteiltLizenz Metadaten: CC0frei zugänglich (Open Access)en2021Universität RostockRostockmonographic202120212021Universitätsbibliothek RostockRostock2021Universitätsbibliothek Rostockhttp://purl.uni-rostock.de/rosdok/id00003394Enthält ZeitschriftenartikelRalf Ludwig (Universität Rostock, Germany) ; Imre Bakó (Research Centre for Natural Sciences, Budapest, Hungary)[{"affil":"Universität Rostock, Germany","name":"Ludwig, Ralf"},{"affil":"Research Centre for Natural Sciences, Budapest, Hungary","name":"Bakó, Imre"}]vorgelegt von Jan NeumannWasserstoffbrückenbindungPhysikalische ChemieIonische Flüssigkeit Universität Rostock, Germany Ludwig, Ralf Research Centre for Natural Sciences, Budapest, Hungary Bakó, Imre 2021-12-07T10:22:13.104Z 2023-08-08T10:13:35.489Z 2023-08-18T10:13:35.493Z {"identifier":"rosdok/id00003394","type":"local_id","additional":"","service":"MCRLocalID","created":"2021-12-07T10:22:14.208Z","registered":"2021-12-07T10:22:14.208Z"} editorMS {"identifier":"urn:nbn:de:gbv:28-rosdok_id00003394-2","type":"dnbUrn","additional":"","service":"RosDokURN","created":"2021-12-07T10:22:14.222Z","registered":"2021-12-07T15:53:21.537Z"} administratorfulltextfile/rosdok_disshab_0000002645/rosdok_derivate_0000106902/Neumann_Dissertation_2021.pdfHydrogen bond lifetimes and equilibria in hydroxyl-functionalized ionic liquidsHydrogen bond lifetimes and equilibria in hydroxyl-functionalized ionic liquidsgnd:1247047768gnd:136437524gnd:38329-6gnd:2147083-2gnd:1247047768gnd:136437524gnd:38329-6gnd:2147083-2rosdok_disshab_0000002645-d1004632e52gnd:1247047768Jan NeumannJan Neumannrosdok_disshab_0000002645-d1004632e66gnd:136437524Ralf LudwigRalf Ludwigrosdok_disshab_0000002645-d1004632e81Imre BakóImre Bakórosdok_disshab_0000002645-d1004632e92gnd:38329-6Universität RostockUniversität Rostockrosdok_disshab_0000002645-d1004632e104gnd:2147083-2Universität Rostock Mathematisch-Naturwissenschaftliche FakultätUniversität Rostock Mathematisch-Naturwissenschaftliche FakultätJan NeumannRalf LudwigImre BakóUniversität RostockUniversität Rostock Mathematisch-Naturwissenschaftliche FakultätJan NeumannRalf LudwigImre BakóUniversität RostockUniversität Rostock Mathematisch-Naturwissenschaftliche FakultätJan NeumannRostockUniversität Rostockepub.dissertationhttp://purl.uni-rostock.de/rosdok/id00003394urn:nbn:de:gbv:28-rosdok_id00003394-210.18453/rosdok_id00003394WasserstoffbrückenbindungPhysikalische ChemieIonische FlüssigkeitThis work investigates the hydrogen bond (HB) lifetimes and equilibrium in hydroxyl-functionalized pyridinium-based ionic liquids. Two types of intermolecular HBs are observed: typical cation-anion HBs are competing with atypical cation-cation HBs . By employing molecular dynamics simulations, the equilibrium between those HBs was examined as a function of temperature and alkyl chain length. In addition, the influence of the different HBs on the structure and dynamics of the ionic liquid are discussed. Also, HB lifetimes where examined.20212021Enthält ZeitschriftenartikelRalf Ludwig (Universität Rostock, Germany) ; Imre Bakó (Research Centre for Natural Sciences, Budapest, Hungary)[{"affil":"Universität Rostock, Germany","name":"Ludwig, Ralf"},{"affil":"Research Centre for Natural Sciences, Budapest, Hungary","name":"Bakó, Imre"}]vorgelegt von Jan Neumann[xslt]Saxonrosdok/id00003394https://purl.uni-rostock.de/rosdok/id00003394178051285610.18453/rosdok_id00003394urn:nbn:de:gbv:28-rosdok_id00003394-2Jan NeumannNeumann JanHydrogen bond lifetimes and equilibria in hydroxyl-functionalized ionic liquidsDissertationdoctoral thesisUniversität Rostock, 2021This work investigates the hydrogen bond (HB) lifetimes and equilibrium in hydroxyl-functionalized pyridinium-based ionic liquids. Two types of intermolecular HBs are observed: typical cation-anion HBs are competing with atypical cation-cation HBs . By employing molecular dynamics simulations, the…Jan NeumannHydrogen bond lifetimes and equilibria in hydroxyl-functionalized ionic liquidsUniversitätsbibliothek Rostockhttp://purl.uni-rostock.de/rosdok/id00003394JanNeumann1992 -VerfasserInaut1247047768RalfLudwig1961 -AkademischeR BetreuerIndgs136437524Universität Rostock, GermanyImreBakóAkademischeR BetreuerIndgsResearch Centre for Natural Sciences, Budapest, Hungary38329-6Universität Rostock1419 -Grad-verleihende Institutiondgg2147083-2Universität RostockMathematisch-Naturwissenschaftliche FakultätGrad-verleihende Institutiondgg[purl]http://purl.uni-rostock.de/rosdok/id00003394[urn]urn:nbn:de:gbv:28-rosdok_id00003394-2[doi]10.18453/rosdok_id00003394open_access20212021epoch:21th_centuryrfc5646:endoctype:epub.dissertationaccesscondition:openaccessSDNB:500SDNB:540institution:unirostock.mnfstate:published