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","2885"],["dc.bibliographiccitation.issue","10"],["dc.bibliographiccitation.journal","Physical Chemistry Chemical Physics"],["dc.bibliographiccitation.lastpage","2890"],["dc.bibliographiccitation.volume","6"],["dc.contributor.author","Borho, N."],["dc.contributor.author","Suhm, Martin A."],["dc.date.accessioned","2018-11-07T10:48:53Z"],["dc.date.available","2018-11-07T10:48:53Z"],["dc.date.issued","2004"],["dc.description.abstract","Hydrogen-bonded clusters of methyl glycolate and methyl alpha-hydroxyisobutyrate are investigated by ragout-jet FTIR-spectroscopy to elucidate the influence of alpha-C hydrogens on the unusual aggregation of alpha-hydroxy esters. Highly structured OH-stretching spectra, stagnation pressure studies, and argon coating experiments show that two alpha-C hydrogens enable the formation of small oligomers such as trimers and tetramers, whereas the lack of alpha-C hydrogens stops selective aggregation beyond dimers. Methyl lactate with a single chiral alpha-C hydrogen is suggested to be intermediate in its clustering behavior, with a homochiral preference for trimers and a strong heterochiral preference for tetramers."],["dc.identifier.doi","10.1039/b315765b"],["dc.identifier.isi","000222182100046"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/48307"],["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","Tailor-made aggregates of alpha-hydroxy esters in supersonic jets"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","1149"],["dc.bibliographiccitation.issue","12"],["dc.bibliographiccitation.journal","Australian Journal of Chemistry"],["dc.bibliographiccitation.lastpage","1152"],["dc.bibliographiccitation.volume","57"],["dc.contributor.author","Seurre, N."],["dc.contributor.author","Le Barbu-Debus, K."],["dc.contributor.author","Lahmani, F."],["dc.contributor.author","Borho, N."],["dc.contributor.author","Suhm, Martin A."],["dc.contributor.author","Zehnacker, A."],["dc.date.accessioned","2018-11-07T10:52:04Z"],["dc.date.available","2018-11-07T10:52:04Z"],["dc.date.issued","2004"],["dc.description.abstract","Jet-cooled complexes formed between a chiral probe [(+/-)-2-naphthyl-1-ethanol] and chiral bifunctional partners that show an intramolecular hydrogen bond have been studied by laser-induced fluorescence and IR fluorescence-dip spectroscopy as well as with DFT calculations. Chiral discrimination results in a chirality-dependent competition between the intramolecular and the intermolecular hydrogen bonds. In the case of (+/-)-methyl lactate, this competition manifests itself in the size of the formed adducts. In particular, while 1 : 1 complexes are the most abundant species observed when (R)-2-naphthyl-1-ethanol is mixed with (S)-methyl lactate, they are absent in the case of the SS mixture, which only forms 1 : 2 adducts."],["dc.identifier.doi","10.1071/CH04120"],["dc.identifier.isi","000225599500007"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/49038"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","CSIRO Publishing"],["dc.publisher.place","Collingwood"],["dc.relation.conference","Conference of the Physical Chemistry Division of the Royal-Australian-Chemistry-Institute"],["dc.relation.eventlocation","Hobart, AUSTRALIA"],["dc.relation.issn","0004-9425"],["dc.relation.orgunit","Institut für Physikalische Chemie"],["dc.title","Chiral recognition in jet-cooled complexes"],["dc.type","conference_paper"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","379"],["dc.bibliographiccitation.issue","3"],["dc.bibliographiccitation.journal","Zeitschrift für physikalische Chemie"],["dc.bibliographiccitation.lastpage","388"],["dc.bibliographiccitation.volume","219"],["dc.contributor.author","Rice, Corey A."],["dc.contributor.author","Borho, N."],["dc.contributor.author","Suhm, Martin A."],["dc.date.accessioned","2018-11-07T08:50:00Z"],["dc.date.available","2018-11-07T08:50:00Z"],["dc.date.issued","2005"],["dc.description.abstract","Pyrazole dimer is observed for the first time in a free jet expansion. Its IR-active N-H stretching vibration is shifted by -269cm(-1) relative to the monomer. Along the 600 mm slit jet expansion, the average number density of pyrazole dimers is approximate to 10(11) cm(-3). Exploratory quantum chemical calculations including electron correlation are in good agreement with the observed frequency shift and confirm reciprocal hydrogen bonding with bent hydrogen bonds in a planar C-2h structure, as postulated by W. Hockel 65 years ago in this journal. Nanomatrix isolation spectra can be obtained by using Ar as the carrier gas. The more strongly coupled vibrational dynamics in pyrazole trimer is illustrated."],["dc.identifier.doi","10.1524/zpch.219.3.379.59183"],["dc.identifier.isi","000227952000008"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/21590"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","R Oldenbourg Verlag"],["dc.relation.issn","0942-9352"],["dc.relation.orgunit","Institut für Physikalische Chemie"],["dc.title","Dimerization of pyrazole in slit jet expansions"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","2721"],["dc.bibliographiccitation.issue","12"],["dc.bibliographiccitation.journal","Physical Chemistry Chemical Physics"],["dc.bibliographiccitation.lastpage","2732"],["dc.bibliographiccitation.volume","4"],["dc.contributor.author","Borho, N."],["dc.contributor.author","Suhm, Martin A."],["dc.date.accessioned","2018-11-07T10:33:36Z"],["dc.date.available","2018-11-07T10:33:36Z"],["dc.date.issued","2002"],["dc.description.abstract","Chiral self-recognition, the ability of a molecule to distinguish between a copy and a mirror copy of itself via intermolecular interactions, is demonstrated for dimers of glycidol (oxiranemethanol) in a supersonic jet expansion. The infrared OH-stretching spectra of homochiral and heterochiral dimers differ from each other and exhibit an unexpected spectral complexity. A systematic quantum chemical study of the conformational degrees of freedom reveals two important types of hydrogen bond topology in glycidol dimers and up to 10 important conformations in the adiabatic expansion. These dimer conformations derive from two out of eight monomer conformations which are preformed and stabilized by intramolecular hydrogen bond contacts. All important conformations have two intermolecular OH-O hydrogen bonds. In the most stable conformations, identical copies of glycidol appear to interact more strongly with each other than with optical antipodes. Secondary interactions such as CH-O contacts are predicted to contribute importantly to chiral discrimination. The spectral complexity in the OH-stretching region can be rationalized qualitatively by harmonic predictions at HF, B3LYP and MP2 levels using small basis sets. Higher level calculations based on this conformational landscape exploration are initiated. They should become increasingly feasible for such a small prototype and will be desirable in order to achieve a quantitative understanding of chiral recognition. Experimentally, the addition of small amounts of Ar to the He expansion is shown to enhance conformational relaxation in the jet."],["dc.identifier.doi","10.1039/b111123j"],["dc.identifier.isi","000176246700035"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/44649"],["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","Glycidol dimer: anatomy of a molecular handshake"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","3440"],["dc.bibliographiccitation.issue","21"],["dc.bibliographiccitation.journal","Angewandte Chemie International Edition"],["dc.bibliographiccitation.lastpage","3445"],["dc.bibliographiccitation.volume","45"],["dc.contributor.author","Adler, T. B."],["dc.contributor.author","Borho, N."],["dc.contributor.author","Reiher, M."],["dc.contributor.author","Suhm, Martin A."],["dc.date.accessioned","2018-11-07T10:28:50Z"],["dc.date.available","2018-11-07T10:28:50Z"],["dc.date.issued","2006"],["dc.identifier.doi","10.1002/anie.200600380"],["dc.identifier.isi","000237980000007"],["dc.identifier.pmid","16671143"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/43513"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Wiley-v C H Verlag Gmbh"],["dc.relation.issn","1433-7851"],["dc.relation.orgunit","Institut für Physikalische Chemie"],["dc.title","Chirality-induced switch in hydrogen-bond topology: Tetrameric methyl lactate clusters in the gas phase"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","1007"],["dc.bibliographiccitation.issue","8"],["dc.bibliographiccitation.journal","Physical Chemistry Chemical Physics"],["dc.bibliographiccitation.lastpage","1016"],["dc.bibliographiccitation.volume","8"],["dc.contributor.author","Seurre, N."],["dc.contributor.author","Barbu-Debus, K. L."],["dc.contributor.author","Lahmani, F."],["dc.contributor.author","Zehnacker, A."],["dc.contributor.author","Borho, N."],["dc.contributor.author","Suhm, Martin A."],["dc.date.accessioned","2018-11-07T10:41:05Z"],["dc.date.available","2018-11-07T10:41:05Z"],["dc.date.issued","2006"],["dc.description.abstract","Jet-cooled diastereoisomeric complexes formed between a chiral probe, (+/-)-2-naphthyl-1-ethanol, and chiral lactic acid derivatives have been characterised by laser-induced fluorescence and IR fluorescence-dip spectroscopy. Complexes with non chiral alpha-hydroxyesters and chiral beta-hydroxyesters have also been studied for the sake of comparison. DFT calculations have been performed to assist in the analysis of the vibrational spectra and the determination of the structures. The observed 1 : 1 complexes correspond to the addition of the hydroxy group of the chromophore on the oxygen atom of the hydroxy in alpha-position relative to the ester function. Moreover, (+/-)-methyl lactate and (+/-)-ethyl lactate complexes with (+/-)-2-naphthyl-1-ethanol show an enantioselectivity in the size of the formed adducts: while fluorescent 1 : 1 complexes are the most abundant species observed when mixing (S)-2-naphthyl-1-ethanol with (R)-methyl or ethyl lactate, they are absent in the case of the SS mixture, which only shows 1 : 2 adducts. This property has been related to steric hindrance brought by the methyl group on the hydroxy-bearing carbon atom."],["dc.identifier.doi","10.1039/b514091a"],["dc.identifier.isi","000235989000011"],["dc.identifier.pmid","16482344"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/46457"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.relation.issn","1463-9076"],["dc.relation.orgunit","Institut für Physikalische Chemie"],["dc.title","Chiral recognition between lactic acid derivatives and an aromatic alcohol in a supersonic expansion: electronic and vibrational spectroscopy"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","4351"],["dc.bibliographiccitation.issue","23"],["dc.bibliographiccitation.journal","Organic & Biomolecular Chemistry"],["dc.bibliographiccitation.lastpage","4358"],["dc.bibliographiccitation.volume","1"],["dc.contributor.author","Borho, N."],["dc.contributor.author","Suhm, Martin A."],["dc.date.accessioned","2018-11-07T10:42:46Z"],["dc.date.available","2018-11-07T10:42:46Z"],["dc.date.issued","2003"],["dc.description.abstract","Chiral recognition and subsequent selective self-organisation into hydrogen-bonded n-mers is observed in supersonic methyl lactate expansions. The v(OH), and v(c=o)-vibrations are investigated by ragout-jet FTIR-spectroscopy and lead to the assignment of homo- and heterochiral clusters of at least three different cluster sizes. Whereas homo- and heterochiral dimers are formed in similar amounts in the racemic mixture, prominent absorptions due to different homochiral and heterochiral lactate trimers and tetramers indicate highly specific chiral self-recognition beyond molecular pairs. Chemical modification of the ester-group (methyl-, ethyl- and isopropyl-lactate) and argon admixture to the helium expansion contribute importantly to an understanding of the cluster spectra and topology."],["dc.identifier.doi","10.1039/b308580e"],["dc.identifier.isi","000187290500027"],["dc.identifier.pmid","14685340"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/46885"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Royal Soc Chemistry"],["dc.relation.issn","1477-0539"],["dc.relation.issn","1477-0520"],["dc.relation.orgunit","Institut für Physikalische Chemie"],["dc.title","Self-organization of lactates in the gas phase"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","1148"],["dc.bibliographiccitation.issue","10"],["dc.bibliographiccitation.journal","Physical Chemistry Chemical Physics"],["dc.bibliographiccitation.lastpage","1158"],["dc.bibliographiccitation.volume","8"],["dc.contributor.author","Farnik, M."],["dc.contributor.author","Weimann, M."],["dc.contributor.author","Steinbach, C."],["dc.contributor.author","Buck, Udo"],["dc.contributor.author","Borho, N."],["dc.contributor.author","Adler, T. B."],["dc.contributor.author","Suhm, Martin A."],["dc.date.accessioned","2018-11-07T10:06:04Z"],["dc.date.available","2018-11-07T10:06:04Z"],["dc.date.issued","2006"],["dc.description.abstract","A comprehensive experimental study of the OH stretching vibrations of size-selected clusters of enantiopure and racemic methyl lactate is presented. For the size selection, we measured angular dependent mass spectra and time-of-flight distributions at the different fragment masses. In this way the fragmentation of these clusters upon electron impact ionization is obtained. The largest fragment masses of the neutral (MLac)(n) clusters are the protonated (MLac)(n-1)H+ ions. The results of a pressure dependent study in an FTIR jet experiment are compared with completely size-selected experiments based on atomic beam deflection and depletion spectroscopy. The size assignments and spectra agree for dimers and trimers. Structures and spectral information for the trimer and the tetramer at density functional and MP2 level are provided. Selective self-aggregation and chiral recognition was observed for homochiral trimers. They exhibit a ring structure bound by (OHOH)-O-... hydrogen bonds. A spectacular switch in the hydrogen bonding topology was observed for the tetramer. The homochiral enantiomer exhibits cooperative (OHOH)-O-... bonding, while the heterochiral version shows isolated (OHO)-O-...=C bonding in a symmetric SRSR arrangement. The crucial ingredients for this identification are the size-selective IR spectra with their different shifts and line patterns which are reproduced by the calculations."],["dc.identifier.doi","10.1039/b514117f"],["dc.identifier.isi","000236280700002"],["dc.identifier.pmid","16633595"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/39024"],["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","Size-selected methyl lactate clusters: fragmentation and spectroscopic fingerprints of chiral recognition"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","4614"],["dc.bibliographiccitation.issue","19"],["dc.bibliographiccitation.journal","Physical Chemistry Chemical Physics"],["dc.bibliographiccitation.lastpage","4620"],["dc.bibliographiccitation.volume","6"],["dc.contributor.author","Farnik, M."],["dc.contributor.author","Steinbach, C."],["dc.contributor.author","Weimann, M."],["dc.contributor.author","Buck, Udo"],["dc.contributor.author","Borho, N."],["dc.contributor.author","Suhm, Martin A."],["dc.date.accessioned","2018-11-07T10:53:04Z"],["dc.date.available","2018-11-07T10:53:04Z"],["dc.date.issued","2004"],["dc.description.abstract","A comprehensive experimental study of OH-stretching vibrations of size selected methyl glycolate clusters is presented. A depletion spectroscopy experiment in a crossed molecular beam apparatus was employed to scrutinize the cluster size assignment based on pressure dependence studies in a jet-FTIR experiment. First, the dimer to tetramer size assignments of the FTIR spectrum are confirmed by depletion signal angular dependencies measured at the FTIR absorption maxima. Then, independent depletion spectra of the size selected dimers through tetramers are presented. The depletion spectra exhibit peak broadening and blue-shifts with respect to the FTIR spectrum. These differences are discussed and partially explained by cluster heating through energy transfer in the scattering collisions with Ne atoms."],["dc.identifier.doi","10.1039/b408506j"],["dc.identifier.isi","000224204600014"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/49266"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Royal Soc Chemistry"],["dc.publisher.place","Cambridge"],["dc.relation.conference","3rd Workshop on Spectroscopy and Dynamics of Molecular Coils and Aggregates"],["dc.relation.eventlocation","Kassel, GERMANY"],["dc.relation.issn","1463-9076"],["dc.relation.orgunit","Institut für Physikalische Chemie"],["dc.title","Size-selective vibrational spectroscopy of methyl glycolate clusters: comparison with ragout-jet FTIR spectroscopy"],["dc.type","conference_paper"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]