Zeuch, Thomas

[["dc.bibliographiccitation.firstpage","6859"],["dc.bibliographiccitation.issue","15"],["dc.bibliographiccitation.journal","Physical Chemistry Chemical Physics"],["dc.bibliographiccitation.lastpage","6871"],["dc.bibliographiccitation.volume","16"],["dc.contributor.author","Buck, Udo"],["dc.contributor.author","Pradzynski, Christoph C."],["dc.contributor.author","Zeuch, Thomas"],["dc.contributor.author","Dieterich, Johannes M."],["dc.contributor.author","Hartke, Bernd"],["dc.date.accessioned","2018-11-07T09:46:25Z"],["dc.date.available","2018-11-07T09:46:25Z"],["dc.date.issued","2014"],["dc.description.abstract","Size selected water clusters are generated by photoionizing sodium doped clusters close to the ionization threshold. This procedure is free of fragmentation. Upon infrared excitation, size- and isomer-specific OH-stretch spectra are obtained over a large range of cluster sizes. In one application of this method the infrared spectra of single water cluster sizes are investigated. A comparison with calculations, based on structures optimized by genetic algorithms, has been made to tentatively derive cluster structures which reproduce the experimental spectra. We identified a single all-surface structure for n = 25 and mixtures with one or two interior molecules for n = 24 and 32. In another application the sizes are determined at which the crystallization sets in. Surprisingly, this process strongly depends on the cluster temperature. The crystallization starts at sizes below n = 200 at higher temperatures and the onset is shifted to sizes above n = 400 at lower temperatures."],["dc.description.sponsorship","Deutsche Forschungsgemeinschaft [ZE 890 1-1, 2, GRK 782]"],["dc.identifier.doi","10.1039/c3cp55185g"],["dc.identifier.fs","609790"],["dc.identifier.isi","000333121300004"],["dc.identifier.pmid","24603719"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?gs-1/10128"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/34864"],["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.rights.access","openAccess"],["dc.title","A size resolved investigation of large water clusters"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dc.type.version","published_version"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","26691"],["dc.bibliographiccitation.issue","48"],["dc.bibliographiccitation.journal","Physical Chemistry Chemical Physics"],["dc.bibliographiccitation.lastpage","26696"],["dc.bibliographiccitation.volume","16"],["dc.contributor.author","Pradzynski, Christoph C."],["dc.contributor.author","Dierking, Christoph W."],["dc.contributor.author","Zurheide, Florian"],["dc.contributor.author","Forck, Richard M."],["dc.contributor.author","Buck, Udo"],["dc.contributor.author","Zeuch, Thomas"],["dc.contributor.author","Xantheas, Sotiris S."],["dc.date.accessioned","2018-11-07T09:45:40Z"],["dc.date.available","2018-11-07T09:45:40Z"],["dc.date.issued","2014"],["dc.description.abstract","Water clusters with internally solvated water molecules are widespread models that mimic the local environment of the condensed phase. The appearance of stable (H2O)(n) cluster isomers having a fully coordinated interior molecule has been theoretically predicted to occur around the n = 20 size range. However, our current knowledge about the size regime in which those structures become energetically more stable has remained hypothetical from simulations in lieu of the absence of precisely size-resolved experimental measurements. Here we report size and isomer selective infrared (IR) spectra of (H2O) 20 clusters tagged with a sodium atom by employing IR excitation-modulated photoionization spectroscopy. The observed absorption patterns in the OH stretching region are consistent with the theoretically predicted spectra of two structurally distinct isomers of exceptional stability: a drop-like cluster with a fully coordinated (interior) water molecule and an edge-sharing pentagonal prism cluster in which all atoms are on the surface. The drop-like structure is the first experimentally detected water cluster exhibiting the local connectivity found in liquid water."],["dc.identifier.doi","10.1039/c4cp03642e"],["dc.identifier.fs","609795"],["dc.identifier.isi","000345453200034"],["dc.identifier.pmid","25231162"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?gs-1/11429"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/34674"],["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.rights.access","openAccess"],["dc.title","Infrared detection of (H2O)(20) isomers of exceptional stability: a drop-like and a face-sharing pentagonal prism cluster"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dc.type.version","published_version"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","83"],["dc.bibliographiccitation.issue","1"],["dc.bibliographiccitation.journal","Physical Chemistry Chemical Physics"],["dc.bibliographiccitation.lastpage","95"],["dc.bibliographiccitation.volume","10"],["dc.contributor.author","Dauster, Ingo"],["dc.contributor.author","Suhm, Martin A."],["dc.contributor.author","Buck, Udo"],["dc.contributor.author","Zeuch, Thomas"],["dc.date.accessioned","2018-11-07T11:20:35Z"],["dc.date.available","2018-11-07T11:20:35Z"],["dc.date.issued","2008"],["dc.description.abstract","Methanol clusters are generated in a continuous He-seeded supersonic expansion and doped with sodium atoms in a pick-up cell. By this method, clusters of the type Na(CH3OH)(n) are formed and subsequently photoionized by applying a tunable dye-laser system. The microsolvation process of the Na 3s electron is studied by determining the ionization potentials (IPs) of these clusters size-selectively for n = 2-40. A decrease is found from n = 2 to 6 and a constant value of 3.19 +/- 0.07 eV for n = 6-40. The experimentally-determined ionization potentials are compared with ionization potentials derived from quantum-chemical calculations, assuming limiting vertical and adiabatic processes. In the first case, energy differences are calculated between the neutral and the ionized cationic clusters of the same geometry. In the second case, the ionized clusters are used in their optimized relaxed geometry. These energy differences and relative stabilities of isomeric clusters vary significantly with the applied quantum-chemical method (B3LYP or MP2). The comparison with the experiment for n = 2-7 reveals strong variations of the ionization potential with the cluster structure indicating that structural diversity and non-vertical pathways give significant signal contributions at the threshold. Based on these findings, a possible explanation for the remarkable difference in IP evolutions of methanol or water and ammonia is presented: for methanol and water a rather localized surface or semi-internal Na 3s electron is excited to either high Rydberg or more localized states below the vertical ionization threshold. This excitation is followed by a local structural relaxation that couples to an autoionization process. For small clusters with n < 6 for methanol and n < 4 for water the addition of solvent molecules leads to larger solvent-metal-ion interaction energies, which consequently lead to lower ionization thresholds. For n = 6 ( methanol) and n = 4 ( water) this effect comes to a halt, which may be connected with the completion of the first cationic solvation shell limiting the release of local relaxation energy. For Na(NH3)(n), a largely delocalized and internal electron is excited to autoionizing electronic states, a process that is no longer local and consequently may depend on cluster size up to very large n."],["dc.identifier.doi","10.1039/b711568g"],["dc.identifier.isi","000251772400009"],["dc.identifier.pmid","18075686"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/55571"],["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","Experimental and theoretical study of the microsolvation of sodium atoms in methanol clusters: differences and similarities to sodium-water and sodium-ammonia"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","24413"],["dc.bibliographiccitation.issue","49"],["dc.bibliographiccitation.journal","Proceedings of the National Academy of Sciences"],["dc.bibliographiccitation.lastpage","24419"],["dc.bibliographiccitation.volume","116"],["dc.contributor.author","Moberg, Daniel R."],["dc.contributor.author","Becker, Daniel"],["dc.contributor.author","Dierking, Christoph W."],["dc.contributor.author","Zurheide, Florian"],["dc.contributor.author","Bandow, Bernhard"],["dc.contributor.author","Buck, Udo"],["dc.contributor.author","Hudait, Arpa"],["dc.contributor.author","Molinero, Valeria"],["dc.contributor.author","Paesani, Francesco"],["dc.contributor.author","Zeuch, Thomas"],["dc.date.accessioned","2020-12-10T18:12:55Z"],["dc.date.available","2020-12-10T18:12:55Z"],["dc.date.issued","2019"],["dc.identifier.doi","10.1073/pnas.1914254116"],["dc.identifier.eissn","1091-6490"],["dc.identifier.issn","0027-8424"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/74533"],["dc.language.iso","en"],["dc.notes.intern","DOI Import GROB-354"],["dc.title","The end of ice I"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","7682"],["dc.bibliographiccitation.issue","13"],["dc.bibliographiccitation.journal","Physical Chemistry Chemical Physics"],["dc.bibliographiccitation.lastpage","7695"],["dc.bibliographiccitation.volume","23"],["dc.contributor.author","Becker, Daniel"],["dc.contributor.author","Dierking, Christoph W."],["dc.contributor.author","Suchan, Jiří"],["dc.contributor.author","Zurheide, Florian"],["dc.contributor.author","Lengyel, Jozef"],["dc.contributor.author","Fárník, Michal"],["dc.contributor.author","Slavíček, Petr"],["dc.contributor.author","Buck, Udo"],["dc.contributor.author","Zeuch, Thomas"],["dc.date.accessioned","2021-06-01T09:41:45Z"],["dc.date.available","2021-06-01T09:41:45Z"],["dc.date.issued","2021"],["dc.description.abstract","The combination of supersonic expansions with IR action spectroscopy techniques is the basis of many successful approaches to study cluster structure and dynamics. In this paper we elucidate the temperature effect of IR excitation and evaporative cooling on sodium solvation in water clusters."],["dc.description.abstract","The combination of supersonic expansions with IR action spectroscopy techniques is the basis of many successful approaches to study cluster structure and dynamics. The effects of temperature and temperature evolution are important with regard to both the cluster synthesis and the cluster dynamics upon IR excitation. In the past the combination of the sodium doping technique with IR excitation enhanced near threshold photoionization has been successfully applied to study neutral, especially water clusters. In this work we follow an overall examination approach for inspecting the interplay of cluster temperature and cluster structure in the initial cooling process and in the IR excitation induced heating of the clusters. In molecular simulations, we study the temperature dependent photoionization spectra of the sodium doped clusters and the evaporative cooling process by water molecule ejection at the cluster surface. We present a comprehensive analysis that provides constraints for the temperature evolution from the nozzle to cluster detection in the mass spectrometer. We attribute the IR action effect to the strong temperature dependence of sodium solvation in the IR excited clusters and we discuss the effects of geometry changes during the IR multi-photon absorption process with regard to application prospects of the method."],["dc.identifier.doi","10.1039/D0CP05390B"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/85024"],["dc.language.iso","en"],["dc.notes.intern","DOI-Import GROB-425"],["dc.relation.eissn","1463-9084"],["dc.relation.issn","1463-9076"],["dc.title","Temperature evolution in IR action spectroscopy experiments with sodium doped water clusters"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","1529"],["dc.bibliographiccitation.issue","6101"],["dc.bibliographiccitation.journal","Science"],["dc.bibliographiccitation.lastpage","1532"],["dc.bibliographiccitation.volume","337"],["dc.contributor.author","Pradzynski, Christoph C."],["dc.contributor.author","Forck, Richard M."],["dc.contributor.author","Zeuch, Thomas"],["dc.contributor.author","Slavicek, Petr"],["dc.contributor.author","Buck, Udo"],["dc.date.accessioned","2018-11-07T09:05:47Z"],["dc.date.available","2018-11-07T09:05:47Z"],["dc.date.issued","2012"],["dc.description.abstract","The number of water molecules needed to form the smallest ice crystals has proven challenging to pinpoint experimentally. This information would help to better understand the hydrogen-bonding interactions that account for the macroscopic properties of water. Here, we report infrared (IR) spectra of precisely size-selected (H2O)(n) clusters, with n ranging from 85 to 475; sodium doping and associated IR excitation-modulated photoionization spectroscopy allowed the study of this previously intractable size domain. Spectral features indicating the onset of crystallization are first observed for n = 275 +/- 25; for n = 475 +/- 25, the well-known band of crystalline ice around 3200 cm(-1) dominates the OH-stretching region. The applied method has the potential to push size-resolved IR spectroscopy of neutral clusters more broadly to the 100- to 1000-molecule range, in which many solvents start to manifest condensed phase properties."],["dc.identifier.doi","10.1126/science.1225468"],["dc.identifier.isi","000308912900049"],["dc.identifier.pmid","22997336"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/25405"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Amer Assoc Advancement Science"],["dc.relation.issn","1095-9203"],["dc.relation.issn","0036-8075"],["dc.title","A Fully Size-Resolved Perspective on the Crystallization of Water Clusters"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","1"],["dc.bibliographiccitation.journal","Chemical Physics Letters"],["dc.bibliographiccitation.lastpage","10"],["dc.bibliographiccitation.volume","579"],["dc.contributor.author","Zeuch, Thomas"],["dc.contributor.author","Buck, Udo"],["dc.date.accessioned","2018-11-07T09:22:17Z"],["dc.date.available","2018-11-07T09:22:17Z"],["dc.date.issued","2013"],["dc.description.abstract","Neutral, sodium doped clusters feature special properties related to solvated electron formation which allow for a wide range of applications. In case of water, methanol and ethanol - but not for ammonia - the evolution of the ionization energy stops at small cluster sizes, reaching values similar to binding energies of solvated electrons in the liquid phase. Because of the appreciable lowering of the ionization energy, their photoionization can be performed free of fragmentation by standard lasers. This provides a very effective method for detection and, in combination with infrared excitation, for taking OH-stretch spectra of size selected, neutral clusters. (C) 2013 Elsevier B.V. All rights reserved."],["dc.description.sponsorship","Deutsche Forschungsgemeinschaft [GRK 782, ZE 890 1-1]"],["dc.identifier.doi","10.1016/j.cplett.2013.06.011"],["dc.identifier.isi","000322558200001"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/29306"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Elsevier Science Bv"],["dc.relation.issn","0009-2614"],["dc.title","Sodium doped hydrogen bonded clusters: Solvated electrons and size selection"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","no"],["dc.bibliographiccitation.issue","51"],["dc.bibliographiccitation.journal","ChemInform"],["dc.bibliographiccitation.lastpage","no"],["dc.bibliographiccitation.volume","43"],["dc.contributor.author","Pradzynski, Christoph C."],["dc.contributor.author","Forck, Richard M."],["dc.contributor.author","Zeuch, Thomas"],["dc.contributor.author","Slavicek, Petr"],["dc.contributor.author","Buck, Udo"],["dc.date.accessioned","2021-12-08T12:30:05Z"],["dc.date.available","2021-12-08T12:30:05Z"],["dc.date.issued","2012"],["dc.identifier.doi","10.1002/chin.201251001"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/96315"],["dc.language.iso","en"],["dc.notes.intern","DOI-Import GROB-476"],["dc.relation.issn","0931-7597"],["dc.rights.uri","http://doi.wiley.com/10.1002/tdm_license_1.1"],["dc.title","ChemInform Abstract: A Fully Size-Resolved Perspective on the Crystallization of Water Clusters."],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","2709"],["dc.bibliographiccitation.issue","11"],["dc.bibliographiccitation.journal","The Journal of Physical Chemistry A"],["dc.bibliographiccitation.lastpage","2720"],["dc.bibliographiccitation.volume","119"],["dc.contributor.author","Zurheide, Florian"],["dc.contributor.author","Dierking, Christoph W."],["dc.contributor.author","Pradzynski, Christoph C."],["dc.contributor.author","Forck, Richard M."],["dc.contributor.author","Flueggen, Florian"],["dc.contributor.author","Buck, Udo"],["dc.contributor.author","Zeuch, Thomas"],["dc.date.accessioned","2018-11-07T09:59:31Z"],["dc.date.available","2018-11-07T09:59:31Z"],["dc.date.issued","2015"],["dc.description.abstract","In water clusters containing, 10-100 Water molecules the structural transition takes place between \"all surface\" structures without internally solvated water molecules to amorphous water clusters with a three dimensionally structured interior. This structural evolution is explored with rigorous size selection by IR excitation modulated photoionization spectroscopy of sodium-doped (H2O)(n) clusters. The emergence of fully coordinated interior water inolecules is observed by an increased relative absorption froth 3200 to 3400 cm(-1) in agreement with theoretical predictions and earlier experimental studies. The analysis has also shown that the intermediate-sized water clusters (n = 40-65) do not smoothly link the structures in the largest and smallest analyzed size regions (n = 15-35 and n = 100-150) in line with previous reports suggesting the appearance of exceptionally stable water cluster isomers at n = 51, 53, 55, and 57. In the size range from n = 49 to n = 55 a reduced ion yield, a plateau in the total IR signal gain and signatures in the distribution of free OH stretch oscillator absorption have been observed. Recently reported putative global minima structures for n = 51 and n = 54 point to the presence of periplanar interior rings in odd-numbered clusters in this size range, which may affect cluster (surface) stability and the shape of the free OH stretch absorption peak. Potential links between pure and sodium-doped water cluster structures and the signatures of solvated electrons in photoelectron spectra of anionic water clusters are discussed."],["dc.description.sponsorship","Deutsche Forschungsgemeinschaft (GRK 782) [ZE 890-1-1/2]"],["dc.identifier.doi","10.1021/jp509883m"],["dc.identifier.isi","000351557300057"],["dc.identifier.pmid","25515154"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/37605"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Amer Chemical Soc"],["dc.relation.issn","1089-5639"],["dc.title","Size-Resolved Infrared Spectroscopic Study of Structural Transitions in Sodium-Doped (H2O)(n) Clusters Containing 10-100 Water Molecules"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","6068"],["dc.bibliographiccitation.issue","23"],["dc.bibliographiccitation.journal","The Journal of Physical Chemistry A"],["dc.bibliographiccitation.lastpage","6076"],["dc.bibliographiccitation.volume","115"],["dc.contributor.author","Forck, Richard M."],["dc.contributor.author","Dauster, Ingo"],["dc.contributor.author","Buck, Udo"],["dc.contributor.author","Zeuch, Thomas"],["dc.date.accessioned","2018-11-07T08:55:03Z"],["dc.date.available","2018-11-07T08:55:03Z"],["dc.date.issued","2011"],["dc.description.abstract","Ethanol clusters are generated in a continuous He seeded supersonic expansion and doped with sodium atoms in a pick-up cell. By this method clusters of the type Na(C2H5OH)(n) are formed and characterized by determining size selectively their ionization potentials (IPs) for n = 2-40 in photoionization experiments. A continuous decrease to 3.1 eV is found from n = 2 to 6 and a constant value of 3.07 +/- 0.06 eV for n = 10-40. This IP evolution is similar to the sodium-water and the sodium-methanol system. Quantum chemical calculations (B3LYP and MP2) of the IPs indicate adiabatic contributions to the photoionization process for the cluster sizes n = 4 and 5, which is similar to the sodium-methanol case. The results of the extrapolated IPs and the vertical binding energies (VEBs) of cluster anions are compared with the recently reported VEBs of solvated electrons in liquid water, methanol, and ethanol solutions in the range of 3.1-3.4 eV. The new results imply that the extrapolated VBEs of solvated electrons in anionic clusters match the VBE in liquid water, while they are about 0.5 eV too low for methanol. The influence of the presence of counterions on these findings is discussed."],["dc.description.sponsorship","DFG [GRK 782, ZE 890-1-1]"],["dc.identifier.doi","10.1021/jp110584s"],["dc.identifier.isi","000291338800040"],["dc.identifier.pmid","21405035"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/22814"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Amer Chemical Soc"],["dc.relation.issn","1089-5639"],["dc.title","Sodium Microsolvation in Ethanol: Common Features of Na(HO-R)(n) (R = H, CH3, C2H5) Clusters"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]