Suhm, Martin A.

[["dc.bibliographiccitation.firstpage","1945"],["dc.bibliographiccitation.issue","11"],["dc.bibliographiccitation.journal","Physical Chemistry Chemical Physics"],["dc.bibliographiccitation.lastpage","1948"],["dc.bibliographiccitation.volume","3"],["dc.contributor.author","Borho, N."],["dc.contributor.author","Haber, T."],["dc.contributor.author","Suhm, Martin A."],["dc.date.accessioned","2018-11-07T09:37:59Z"],["dc.date.available","2018-11-07T09:37:59Z"],["dc.date.issued","2001"],["dc.description.abstract","Supersonic jet FTIR spectra of the OH-stretching bands of glycidol monomers and clusters are presented. Chiral discrimination leads to marked differences in the absorption patterns of RR (SS) vs. RS glycidol dimers. The dominant absorption peaks are located at 3492 (RR, SS) and 3488 cm(-1) (RS) within a rich line spectrum with sizeable variations between enantiomerically pure and racemic dimers. A spectral difference technique is used to emphasize the intermolecular diastereomeric effects. Glycidol is possibly the first and likely the smallest molecule for which chiral self-recognition has been experimentally demonstrated in the gas phase. It thus lends itself very well to accurate quantum chemical calculations of the chiral discrimination effect. Qualitative results of exploratory calculations are reported."],["dc.identifier.doi","10.1039/b102382a"],["dc.identifier.isi","000168859400003"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/32964"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Royal Soc Chemistry"],["dc.relation.issn","1463-9076"],["dc.relation.orgunit","Institut für Physikalische Chemie"],["dc.title","Chiral self-recognition in the gas phase: the case of glycidol dimers"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","5985"],["dc.bibliographiccitation.issue","7"],["dc.bibliographiccitation.journal","The Journal of Chemical Physics"],["dc.bibliographiccitation.lastpage","5989"],["dc.bibliographiccitation.volume","98"],["dc.contributor.author","Suhm, Martin A."],["dc.contributor.author","Farrell, John T."],["dc.contributor.author","Ashworth, Stephen H."],["dc.contributor.author","Nesbitt, David J."],["dc.date.accessioned","2020-09-21T13:26:20Z"],["dc.date.available","2020-09-21T13:26:20Z"],["dc.date.issued","1993"],["dc.identifier.doi","10.1063/1.464860"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/67795"],["dc.language.iso","en"],["dc.notes.intern","DOI-Import GROB-339"],["dc.relation.eissn","1089-7690"],["dc.relation.issn","0021-9606"],["dc.title","High‐resolution infrared spectroscopy of DF trimer: A cyclic ground state structure and DF stretch induced intramolecular vibrational coupling"],["dc.type","journal_article"],["dc.type.internalPublication","no"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.artnumber","154314"],["dc.bibliographiccitation.issue","15"],["dc.bibliographiccitation.journal","The Journal of Chemical Physics"],["dc.bibliographiccitation.volume","125"],["dc.contributor.author","Larsen, Rene Wugt"],["dc.contributor.author","Suhm, Martin A."],["dc.date.accessioned","2018-11-07T09:05:58Z"],["dc.date.available","2018-11-07T09:05:58Z"],["dc.date.issued","2006"],["dc.description.abstract","Intermolecular hydrogen bond libration modes of isolated cyclic methanol trimers (approximate to 613 cm(-1)) and tetramers (695 and 760 cm(-1)) are observed in pulsed jet Fourier transform infrared spectra and found to exhibit sizeable anharmonicity and mode coupling effects, opening the way for a microscopic interpretation of the broad librational bands of alcohols. The correlation of experimental OH stretching and OH libration band intensities provides important constraints for theoretical band strengths, cluster densities, and size assignments. (c) 2006 American Institute of Physics."],["dc.identifier.doi","10.1063/1.2358349"],["dc.identifier.isi","000241405300033"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/25446"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Amer Inst Physics"],["dc.relation.issn","0021-9606"],["dc.relation.orgunit","Institut für Physikalische Chemie"],["dc.title","Cooperative organic hydrogen bonds: The librational modes of cyclic methanol clusters"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","3094"],["dc.bibliographiccitation.issue","15"],["dc.bibliographiccitation.journal","Physical Chemistry Chemical Physics"],["dc.bibliographiccitation.lastpage","3099"],["dc.bibliographiccitation.volume","5"],["dc.contributor.author","Emmeluth, C."],["dc.contributor.author","Suhm, Martin A."],["dc.date.accessioned","2018-11-07T10:42:53Z"],["dc.date.available","2018-11-07T10:42:53Z"],["dc.date.issued","2003"],["dc.description.abstract","The vibrational dynamics and hydrogen bond topology of excited isomers of carboxylic acid dimers is elucidated by an FTIR study of mixed acetic acid-methyl acetate clusters in supersonic jet expansions. The partial esterification prevents a second OH-O hydrogen bond in the dimer and replaces it by a weak CH-O contact. Vibrational transitions due to mixed acid-ester dimers are observed in the O-H, C=O, and C-O stretching range. Similarities between the mixed dimer spectrum and weak bands in the spectrum of pure acetic acid clusters suggest a common hydrogen bond pattern for both species. It is the hydrogen bond pattern observed between two adjacent monomers in solid acetic acid. The conclusions are supported by quantum-chemical calculations."],["dc.identifier.doi","10.1039/b303816e"],["dc.identifier.isi","000184186500002"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/46907"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Royal Soc Chemistry"],["dc.relation.issn","1463-9076"],["dc.relation.orgunit","Institut für Physikalische Chemie"],["dc.title","A chemical approach towards the spectroscopy of carboxylic acid dimer isomerism"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","25975"],["dc.bibliographiccitation.issue","37"],["dc.bibliographiccitation.journal","Physical Chemistry Chemical Physics"],["dc.bibliographiccitation.lastpage","25983"],["dc.bibliographiccitation.volume","18"],["dc.contributor.author","Medcraft, Chris"],["dc.contributor.author","Zinn, Sabrina"],["dc.contributor.author","Schnell, Melanie"],["dc.contributor.author","Poblotzki, Anja"],["dc.contributor.author","Altnoeder, Jonas"],["dc.contributor.author","Heger, Matthias"],["dc.contributor.author","Suhm, Martin A."],["dc.contributor.author","Bernhard, Dominic"],["dc.contributor.author","Stamm, Anke"],["dc.contributor.author","Dietrich, Fabian"],["dc.contributor.author","Gerhards, Markus"],["dc.date.accessioned","2018-11-07T10:07:09Z"],["dc.date.available","2018-11-07T10:07:09Z"],["dc.date.issued","2016"],["dc.description.abstract","Dispersion interactions are omnipresent in intermolecular interactions, but their respective contributions are difficult to predict. Aromatic ethers offer competing docking sites for alcohols: the ether oxygen as a well known hydrogen bond acceptor, but also the aromatic pi system. The interaction with two aromatic moieties in diphenyl ether can tip the balance towards pi binding. We use a multi-spectroscopic approach to study the molecular recognition, the structure and internal dynamics of the diphenyl ether-methanol complex, employing infrared, infrared-ultraviolet and microwave spectroscopy. We find that the conformer with the hydroxy group of the alcohol binding to one aromatic pi cloud and being coordinated by an aromatic C-H bond of the other phenyl group is preferred. Depending on the expansion conditions in the supersonic jet, we observe a second conformer, which exhibits a hydrogen bond to the ether oxygen and is higher in energy."],["dc.identifier.doi","10.1039/c6cp03557d"],["dc.identifier.isi","000385172600021"],["dc.identifier.pmid","27722486"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/39228"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Royal Soc Chemistry"],["dc.relation.issn","1463-9084"],["dc.relation.issn","1463-9076"],["dc.relation.orgunit","Institut für Physikalische Chemie"],["dc.title","Aromatic embedding wins over classical hydrogen bonding - a multi-spectroscopic approach for the diphenyl ether-methanol complex"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","4443"],["dc.bibliographiccitation.issue","32"],["dc.bibliographiccitation.journal","Physical Chemistry, Chemical Physics"],["dc.bibliographiccitation.lastpage","4443"],["dc.bibliographiccitation.volume","9"],["dc.contributor.author","Suhm, M. A."],["dc.creator.author","SUHM, MA"],["dc.date.accessioned","2022-05-19T12:59:17Z"],["dc.date.available","2022-05-19T12:59:17Z"],["dc.date.issued","2007"],["dc.identifier.doi","10.1039/b711142h"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/108119"],["dc.language.iso","en"],["dc.title","Spectroscopic probes of molecular recognition"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.subtype","original_ja"],["dspace.entity.type","Publication"]]

[["dc.contributor.author","Suhm, Martin A."],["dc.contributor.editor","Zehnacker, Anne"],["dc.date.accessioned","2020-09-21T13:30:09Z"],["dc.date.available","2020-09-21T13:30:09Z"],["dc.date.issued","2010"],["dc.identifier.doi","10.1201/9781420082289"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/67867"],["dc.notes.intern","DOI-Import GROB-339"],["dc.publisher","CRC Press"],["dc.relation.ispartof","Chiral Recognition in the Gas Phase"],["dc.relation.orgunit","Institut für Physikalische Chemie"],["dc.title","Infrared and Raman Detection of Transient Chirality Recognition in the Gas Phase"],["dc.type","book_chapter"],["dc.type.internalPublication","yes"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","2636"],["dc.bibliographiccitation.issue","11"],["dc.bibliographiccitation.journal","The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory"],["dc.bibliographiccitation.lastpage","2643"],["dc.bibliographiccitation.volume","119"],["dc.contributor.author","Zischang, Julia"],["dc.contributor.author","Skyortsov, Dmitry"],["dc.contributor.author","Choi, Myong Yong"],["dc.contributor.author","Mata, Ricardo A."],["dc.contributor.author","Suhm, Martin A."],["dc.contributor.author","Vilesov, Audrey F."],["dc.date.accessioned","2018-11-07T09:59:30Z"],["dc.date.available","2018-11-07T09:59:30Z"],["dc.date.issued","2015"],["dc.description.abstract","Mixed (HCl)(N)(H2O)(M) clusters have been assembled in He droplets from the constituting molecules. Spectra of the clusters were obtained in the range of hydrogen-bonded OH vibrations (3100-3700 cm(-1)) by infrared laser depletion spectroscopy. The observed bands were assigned to cyclic hydrogen-bonded aggregates containing up to two HCl and three H2O molecules. The obtained frequencies are in good agreement with the results of harmonic quantum chemical calculations upon appropriate uniform shifts mimicking anharmonic corrections. Although larger clusters containing up to six water molecules were also produced in the droplets, their spectra were found to contribute to the unresolved signal in the range 3250-3550 cm(-1). The fact that no narrow bands could be unambiguously assigned to the mixed clusters containing more than three water molecules may indicate that such clusters exist in many isomeric forms that lead to overlapped and unresolved bands giving rise to broad structureless features. Another possible explanation includes the formation of elusive zwitterionic clusters, whose bands may have considerable breadth due to electrostatic coupling of different vibrational modes and concomitant intramolecular vibrational relaxation."],["dc.description.sponsorship","NSF [CHE-1362535]"],["dc.identifier.doi","10.1021/jp509683g"],["dc.identifier.isi","000351557300049"],["dc.identifier.pmid","25383705"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/37604"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Amer Chemical Soc"],["dc.relation.issn","1089-5639"],["dc.relation.orgunit","Institut für Physikalische Chemie"],["dc.title","Helium Nanodroplet Study of the Hydrogen-Bonded OH Vibrations in HCl-H2O Clusters"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","12846"],["dc.bibliographiccitation.issue","41"],["dc.bibliographiccitation.journal","Angewandte Chemie"],["dc.bibliographiccitation.lastpage","12850"],["dc.bibliographiccitation.volume","129"],["dc.contributor.author","Oswald, Sönke"],["dc.contributor.author","Suhm, Martin A."],["dc.date.accessioned","2021-12-08T12:30:08Z"],["dc.date.available","2021-12-08T12:30:08Z"],["dc.date.issued","2017"],["dc.identifier.doi","10.1002/ange.201705301"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/96332"],["dc.language.iso","en"],["dc.notes.intern","DOI-Import GROB-476"],["dc.relation.eissn","1521-3757"],["dc.relation.issn","0044-8249"],["dc.rights.uri","http://onlinelibrary.wiley.com/termsAndConditions#vor"],["dc.title","Experimental Reference Data for Hexafluorinated Propanol by Exploring an Unusual Intermolecular Torsional Balance"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","3266"],["dc.bibliographiccitation.issue","18"],["dc.bibliographiccitation.journal","The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory"],["dc.bibliographiccitation.lastpage","3279"],["dc.bibliographiccitation.volume","118"],["dc.contributor.author","Altnoeder, Jonas"],["dc.contributor.author","Oswald, Soenke"],["dc.contributor.author","Suhm, Martin A."],["dc.date.accessioned","2018-11-07T09:40:19Z"],["dc.date.available","2018-11-07T09:40:19Z"],["dc.date.issued","2014"],["dc.description.abstract","The monomers and hydrogen-bonded dimers of benzyl alcohol, cyclohexyl methanol, and 2-methyl-1-propanol are investigated by jet-FTIR spectroscopy, complemented by Raman spectra and quantum chemical calulations, including CCSD(T) corrections. A large variety of London dispersion effects from the interacting carbon cycles is revealed, sometimes adding to and sometimes competing with the alcoholic hydrogen bonds. Conformational (in-)flexibility provides the key for understanding these effects, and this requires accurate predictions of monomer conformational preferences, which are shown to be subtly at variance with experiment even for some triple-zeta MP2 calculations. In some observed dimers, cooperative OH center dot center dot center dot OH center dot center dot center dot pi patterns are sacrificed to optimize sigma-pi dispersion interactions. In other competitive dimers, dispersion interactions are far from maximized, because that would imply a substantial weakening of the hydrogen bond. In the series from methanol dimer to 1-indanol dimer, which this contribution bridges, B3LYP-D3 appears to switch from an overestimation to a slight underestimation of cohesion, but overall it provides a very useful modeling tool for vibrational spectra of systems affected by both hydrogen bonds and London dispersion."],["dc.identifier.doi","10.1021/jp501763b"],["dc.identifier.isi","000335878100006"],["dc.identifier.pmid","24758292"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/33482"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Amer Chemical Soc"],["dc.relation.issn","1089-5639"],["dc.relation.orgunit","Institut für Physikalische Chemie"],["dc.title","Phenyl- vs Cyclohexyl-Substitution in Methanol: Implications for the OH Conformation and for Dispersion-Affected Aggregation from Vibrational Spectra in Supersonic Jets"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]