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Suhm, Martin A.
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Preferred name
Suhm, Martin A.
Official Name
Suhm, Martin A.
Alternative Name
Suhm, M. A.
Suhm, Martin
Suhm, M.
Main Affiliation
ORCID
Researcher ID
B-4740-2009
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2020Journal Article [["dc.bibliographiccitation.firstpage","1122"],["dc.bibliographiccitation.issue","3"],["dc.bibliographiccitation.journal","Physical Chemistry Chemical Physics"],["dc.bibliographiccitation.lastpage","1136"],["dc.bibliographiccitation.volume","22"],["dc.contributor.author","Hartwig, Beppo"],["dc.contributor.author","Lange, Manuel"],["dc.contributor.author","Poblotzki, Anja"],["dc.contributor.author","Medel, Robert"],["dc.contributor.author","Zehnacker, Anne"],["dc.contributor.author","Suhm, Martin A."],["dc.date.accessioned","2021-04-14T08:27:34Z"],["dc.date.available","2021-04-14T08:27:34Z"],["dc.date.issued","2020"],["dc.description.abstract","By a combination of linear FTIR and Raman jet spectroscopy, racemic trans-1,2-cyclohexanediol is shown to form an energetically unrivalled S4-symmetric heterochiral dimer in close analogy to 1,2-ethanediol. Analogous experiments with enantiopure trans-1,2-cyclohexanediol reveal the spectral signature of at least three unsymmetric homochiral dimers. A comparison to signal-enhanced spectra of 1,2-ethanediol and to calculations uncovers at least three transiently homochiral dimer contributions as well. In few of these dimer structures, the intramolecular OH⋯O contact present in monomeric 1,2-diols survives, despite the kinetic control in supersonic jet expansions. This provides further insights into the dimerisation mechanism of conformationally semi-flexible molecules in supersonic jets. Racemisation upon dimerisation is shown to be largely quenched under jet cooling conditions, whereas it should be strongly energy-driven at higher temperatures. The pronounced energetic preference for heterochiral aggregation of vicinal diols is also discussed in the context of chirality-induced spin selectivity."],["dc.identifier.doi","10.1039/c9cp04943f"],["dc.identifier.eissn","1463-9084"],["dc.identifier.issn","1463-9076"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/82335"],["dc.language.iso","en"],["dc.notes.intern","DOI Import GROB-399"],["dc.relation.eissn","1463-9084"],["dc.relation.issn","1463-9076"],["dc.relation.orgunit","Institut für Physikalische Chemie"],["dc.rights","CC BY 3.0"],["dc.title","The reduced cohesion of homoconfigurational 1,2-diols"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.version","published_version"],["dspace.entity.type","Publication"]]Details DOI2022Journal Article [["dc.bibliographiccitation.firstpage","101"],["dc.bibliographiccitation.issue","1"],["dc.bibliographiccitation.journal","Molecules"],["dc.bibliographiccitation.volume","27"],["dc.contributor.affiliation","Medel, Robert; 1Institut für Physikalische Chemie, Georg-August-Universität Göttingen, Tammannstr. 6, 37077 Goettingen, Germany; j.springborn@stud.uni-goettingen.de (J.R.S.); msuhm@gwdg.de (M.A.S.)"],["dc.contributor.affiliation","Springborn, Johann R.; 1Institut für Physikalische Chemie, Georg-August-Universität Göttingen, Tammannstr. 6, 37077 Goettingen, Germany; j.springborn@stud.uni-goettingen.de (J.R.S.); msuhm@gwdg.de (M.A.S.)"],["dc.contributor.affiliation","Crittenden, Deborah L.; 2School of Physical and Chemical Sciences, University of Canterbury, Private Bag 4800, Christchurch 8140, New Zealand; deborah.crittenden@canterbury.ac.nz"],["dc.contributor.affiliation","Suhm, Martin A.; 1Institut für Physikalische Chemie, Georg-August-Universität Göttingen, Tammannstr. 6, 37077 Goettingen, Germany; j.springborn@stud.uni-goettingen.de (J.R.S.); msuhm@gwdg.de (M.A.S.)"],["dc.contributor.author","Medel, Robert"],["dc.contributor.author","Springborn, Johann R."],["dc.contributor.author","Crittenden, Deborah L."],["dc.contributor.author","Suhm, Martin A."],["dc.contributor.editor","Sanz, Maria Eugenia"],["dc.date.accessioned","2022-02-01T10:31:50Z"],["dc.date.available","2022-02-01T10:31:50Z"],["dc.date.issued","2022"],["dc.date.updated","2022-02-09T13:19:50Z"],["dc.description.abstract","Rotational microwave jet spectroscopy studies of the monoterpenol α-fenchol have so far failed to identify its second most stable torsional conformer, despite computational predictions that it is only very slightly higher in energy than the global minimum. Vibrational FTIR and Raman jet spectroscopy investigations reveal unusually complex OH and OD stretching spectra compared to other alcohols. Via modeling of the torsional states, observed spectral splittings are explained by delocalization of the hydroxy hydrogen atom through quantum tunneling between the two non-equivalent but accidentally near-degenerate conformers separated by a low and narrow barrier. The energy differences between the torsional states are determined to be only 16(1) and 7(1) cm−1hc for the protiated and deuterated alcohol, respectively, which further shrink to 9(1) and 3(1) cm−1hc upon OH or OD stretch excitation. Comparisons are made with the more strongly asymmetric monoterpenols borneol and isopinocampheol as well as with the symmetric, rapidly tunneling propargyl alcohol. In addition, the third—in contrast localized—torsional conformer and the most stable dimer are assigned for α-fenchol, as well as the two most stable dimers for propargyl alcohol."],["dc.description.abstract","Rotational microwave jet spectroscopy studies of the monoterpenol α-fenchol have so far failed to identify its second most stable torsional conformer, despite computational predictions that it is only very slightly higher in energy than the global minimum. Vibrational FTIR and Raman jet spectroscopy investigations reveal unusually complex OH and OD stretching spectra compared to other alcohols. Via modeling of the torsional states, observed spectral splittings are explained by delocalization of the hydroxy hydrogen atom through quantum tunneling between the two non-equivalent but accidentally near-degenerate conformers separated by a low and narrow barrier. The energy differences between the torsional states are determined to be only 16(1) and 7(1) cm−1hc for the protiated and deuterated alcohol, respectively, which further shrink to 9(1) and 3(1) cm−1hc upon OH or OD stretch excitation. Comparisons are made with the more strongly asymmetric monoterpenols borneol and isopinocampheol as well as with the symmetric, rapidly tunneling propargyl alcohol. In addition, the third—in contrast localized—torsional conformer and the most stable dimer are assigned for α-fenchol, as well as the two most stable dimers for propargyl alcohol."],["dc.identifier.doi","10.3390/molecules27010101"],["dc.identifier.eissn","1420-3049"],["dc.identifier.pii","molecules27010101"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/98959"],["dc.language.iso","en"],["dc.notes.intern","DOI-Import GROB-517"],["dc.publisher","MDPI"],["dc.relation.eissn","1420-3049"],["dc.rights","Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/)."],["dc.title","Hydrogen Delocalization in an Asymmetric Biomolecule: The Curious Case of Alpha-Fenchol"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dspace.entity.type","Publication"]]Details DOI