Veröffentlichungen

Die Forschungsergebnisse der von Mitarbeiterinnen und Mitarbeitern bearbeiteten Projekte werden in internationalen peer-review Journalen und Fachbüchern veröffentlicht.

Publikationen. Foto: Colourbox
Publikationen. Foto: Colourbox

Publikationen

F. Müller, J.B. Stückrath, F.A. Bischoff, L. Gagliardi, J. Sauer, S. Debnath, M. Jorewitz, K.R. Asmis
Valence and Structure Isomerism of Al2FeO4+: Synergy of Spectroscopy and Quantum Chemistry
Article in J. Am. Chem. Soc. 42, 18050–9 (2020)
10.1021/jacs.0c07158 

H. Knorke, H. Li, J. Warneke, Z.-F. Liu, K.R. Asmis
Cryogenic ion trap vibrational spectroscopy of the microhydrated sulfate dianions SO42−(H2O)3−8
Paper in Phys. Chem. Chem. Phys. 22, 27732-45 (2020)

https://doi.org/10.1039/D0CP04386A

K. R. Asmis, B. B. Beele, C. Jenne, S. Kawa, H. Knorke, M. C. Nierstenhöfer, X.‐B. Wang, J. Warneke, Z. Warneke, Q. Yuan
Synthesis, Electronic Properties and Reactivity of [B12X11(NO2)]2− (X=F–I) Dianions
Full Paper in Chem. Eur. J. 26, 14594–601 (2020),

https://doi.org/10.1002/chem.202003537

J. Warneke, M. Mayer, M. Rohdenburg, X. Ma, Judy K.Y. Liu, M. Grellmann, S. Debnath, V. A. Azov, E. Apra, R. P. Young, C. Jenne, G.E. Johnson, H.I. Kenttämaa, K.R. Asmis, J. Laskin
Direct functionalization of C−H bonds by electrophilic anions
Article in Proc. Natl. Acad. Sci. U.S.A. 117, 23374–9 (2020),
DOI: 10.1073/pnas.2004432117

B. Hoffmann, T. K. Esser, B. Abel, K. R. Asmis
Electronic Action Spectroscopy on Single Nanoparticles in the Gas Phase
Letter in J. Phys. Chem. Lett., 11, 6051−6056 (2020)
DOI: 10.1021/acs.jpclett.0c01945

J.A. DeVine, S. Debnath, Y.-K. Li, L.M. McCaslin, W. Schöllkopf, D.M. Neumark, K.R. Asmis,
Photodissociation Spectroscopy of D2-Tagged CH3CO2−(H2O)0−2 anions,
Article in Mol. Phys.118, e1749953 1-12 (2020).
DOI: 10.1080/00268976.2020.1749953

M. Mayer, M. Rohdenburg, V. van Lessen, M. C. Nierstenhöfer, E. Aprà, S. Grabowsky, K. R. Asmis, C. Jenne, J. Warneke
First Steps Towards a Stable Neon Compound: Observation and Bonding Analysis of [B12(CN)11Ne]-
Communication in Chem. Commun.56, 4591-4 (2020)
DOI: 10.1039/D0CC01423K

M. Mayer, M. Pahl, M. Spanka, M. Grellmann, M. Sickert, C. Schneider, K.R. Asmis, D. Belder
Unravelling the Configuration of Transient ortho-Quinone Methides by Combining Microfluidics with Gas Phase Vibrational Spectroscopy
Article in Phys. Chem. Chem. Phys. 22, 4610-6 (2020)
DOI: 10.1039/C9CP06435D
T.K. Esser, B. Hoffmann, S. Anderson, K.R. Asmis
A Cryogenic Single Nanoparticle Action Spectrometer
Featured Article in Rev. Sci. Instrum. 90, 125110 pp. 1-10 (2019)
DOI: 10.1063/1.5128203
Y.-K. Li, S. Debnath, M. Schlangen, W. Schöllkopf, K.R. Asmis, H. Schwarz
Direct Identification of Acetaldehyde Formation and Characterization of the Active Site in the [VPO4]•+/C2H4 Couple By Gas-Phase Vibrational Spectroscopy
Communication in Angew. Chem. Int. Ed.,58, 18868–72 (2019)
DOI: 10.1002/anie.201911040R1
S. Pan, J. Barroso, S. Jalife T. Heine, K.R. Asmis, G. Merino
Fluxional Boron Clusters: From Theory to Reality
Invited Review Article in Acc. Chem. Res. 52, 2732-44 (2019)
DOI: 10.1021/acs.accounts.9b00336
H. Knorke, H. Li, Z. Liu, K.R. Asmis
Vibrational Spectroscopy of the Hexahydrated Sulfate Dianion Revisited: Role of Isomers and Anharmonicities
Article in Phys. Chem. Chem. Phys. 21, 11651-9 (2019)
DOI: 10.1039/C9CP01802F  
M. Mayer, V.v Lessen, M. Rohdenburg, G.-L. Hou, Z. Yang, R.M. Exner, E. Aprà, V.A. Azov, S. Grabowsky, S.S. Xantheas, K.R. Asmis, X.-B. Wang, C. Jenne, J. Warneke
Rational design of an argon-binding superelectrophilic anion
PNAS 116, 8167-72 (2019)
DOI: 10.1073/pnas.1820812116 
M. Pahl, M. Mayer, M. Schneider, D. Belder, K.R. Asmis
Joining Microfluidics with Infrared Photodissociation: Online Monitoring of Isomeric Flow-Reaction Intermediates
Letter in Anal. Chem. 91, 3199–203 (2019).
DOI: 10.1021/acs.analchem.8b05532
H. Schwarz and K.R. Asmis
Identification of Active Sites and Structural Characterization of Reactive Ionic Intermediates by Cryogenic Ion Trap Vibrational Spectroscopy
Concept Article in Chem. Eur. J. 25, 2112-26 (2019).
DOI: 10.1002/chem.201805836
S. Debnath, X. Song, M.R. Fagiani, M.L. Weichman, M. Gao, S. Maeda, T. Taketsugu, W. Schöllkopf, A. Lyalin, D.M. Neumark, K.R. Asmis
CO2 Adsorption on Ti3O6ˉ: A Novel Carbonate Binding Motif
Article in J. Phys. Chem. C 123, 8439−446, (2019); Corrigendum: 124, 6952-6953 (2020)
DOI: 10.1021/acs.jpcc.8b10724 DOI: 10.1021/acs.jpcc.0c01893
K.S. Lokare, B. Braun-Cula, C. Limberg, M. Jorewitz, J.T. Kelly, K.R. Asmis, S. Leach, C. Baldauf, I. Goikoetxea, J. Sauer
Structure and Reactivity of Al–O(H)–Al Moieties in Siloxide Frameworks – Solution and Gas Phase Model Studies
Communication in Angew. Chem. Int. Ed. 58, 902–6 (2019).
DOI: 10.1002/anie.201810130
K.S. Lokare, B. Braun-Cula, C. Limberg, M. Jorewitz, J.T. Kelly, K.R. Asmis, S. Leach, C. Baldauf, I. Goikoetxea, J. Sauer
Struktur und Reaktivität der Al-O(H)-Al-Einheiten in Siloxidgerüstverbindungen – Modellstudien in Lösung und in Isolation
Communication in Angew. Chem. 131, 912-7 (2019).
DOI: 10.1002/ange.201810130

L.N. Pham, P. Claes, P. Lievens, L. Jiang, T. Wende, K.R. Asmis, M.T. Nguyen, E. Janssens
Geometric Structures and Magnetic Interactions in Small Chromium Oxide Clusters
Article in J. Phys. Chem. C 122, 27640-7 (2018).
DOI: 10.1021/acs.jpcc.8b10035

T. Esser, H. Knorke, D.R. Galimberti, F. Siro-Brigiano, K.R. Asmis, M.-P. Gaigeot, J.M. Lisy
Influence of argon and D2 tagging on the hydrogen bond network in Cs+(H2O)3; Kinetic trapping below 40 K
Article in Phys. Chem. Chem. Phys. 20, 28476-86 (2018).
DOI: 10.1039/C8CP06020G

John Kelly, Thomas Ellington, Thomas Sexton, Ryan Fortenberry, Gregory Tschumper and Knut Asmis
Gas Phase Vibrational Spectroscopy of the Azide-Water Complex
Communication in J. Chem. Phys. 149, 191101 1-5 (2018).
DOI: 10.1063/1.5053671

John T. Kelly, Martin Mayer, Adam C. Kennedy, Christian Schemel, Knut R. Asmis
Probing the propensity of perchlorate anions for surface solvation by infrared photodissociation spectroscopy
Article in J. Chem. Phys. 148 222840 (2018) (Editor's Pick, special topic on Ions in Water)
DOI: 10.1063/1.5028416

S. Debnath , H. Knorke,  W. Schöllkopf,  S. Zhou,  K. R. Asmis, H. Schwarz
Experimental Identification of the Active Site in the Heteronuclear [AlVOx]+·/CO/N₂O (x = 3, 4) Redox Couples by Gas‐Phase IR Spectroscopy
Communication in Angew. Chem. Int. Ed.  57 7448 –7452 (2018)
DOI: 10.1002/anie.201804056

S. Debnath , H. Knorke,  W. Schöllkopf,  S. Zhou,  K. R. Asmis, H. Schwarz
Experimentelle Bestimmung des aktiven Zentrums im heteronuklearen Redox‐System [AlVOx]+./CO/N2O (x=3, 4) durch Gasphasen‐Infrarotspektroskopie
Communication in Angew. Chem. German Edition 130 7570 –7574 (2018)
DOI: 10.1002/ange.201804056

K.R. Asmis and A. Fielicke
Size-Selected Clusters as Model Systems for Catalysis
Preface in Top. Catal. 61 1-2 (2018) (Special Issue “Size-Selected Clusters as Model Systems for Catalysis”)
DOI: 10.1007/s11244-018-0906-5

T.K. Esser, H. Knorke, K.R. Asmis, W. Schöllkopf, Q. Yu, C. Qu, J.M. Bowman, M. Kaledin
Deconstructing Prominent Bands in the Terahertz Spectra of H7O3+ and H9O4+: Intermolecular Modes in Eigen Clusters
Letter in J. Phys. Chem. Lett. 9 798−803 (2018)
DOI: 10.1021/acs.jpclett.7b03395

M.L. Weichman, S. Debnath, J.T. Kelly, S. Gewinner, W. Schöllkopf, D.M. Neumark, K.R. Asmis
Dissociative water adsorption on gas-phase titanium dioxide cluster anions probed with infrared photodissociation spectroscopy
Article in Top. Catal. 61 92-105 (2018) (Special Issue “Size-Selected Clusters as Model Systems for Catalysis”)
DOI: 10.1007/s11244-017-0863-4

J. T. Kelly, H. Knorke, K. R. Asmis
Isolating the Isomeric Hydrogen Bonding Signatures of the Cyanide–Water Complex by Cryogenic Ion Trap Vibrational Spectroscopy
Letter in J. Phys. Chem. Lett. 8 5349–54 (2017)
DOI: 10.1021/acs.jpclett.7b02263

X. Song, M.R. Fagiani, S. Debnath, M. Gao, S. Maeda, T. Taketsugu, S. Gewinner, W. Schöllkopf, K.R. Asmis, A. Lyalin
Excess Charge Driven Dissociative Hydrogen Adsorption on Ti2O4ˉ
Phys. Chem. Chem. Phys. 19 23154-61 (2017)
DOI: 10.1039/C7CP03798H

M. Rohdenburg, M. Mayer, M. Grellmann, C. Jenne, T. Borrmann, F. Kleemiß, V.A. Azov, K.R. Asmis, S. Grabowsky, J. Warneke
Superelectrophilic Behavior of an Anion Demonstrated by Spontaneous Binding of [B12Cl1  1]⎺ with Noble Gases
Communication in Angew. Chem. Int. Ed. 56 7980-85 (2017)
DOI: 10.1002/anie.201702237   Titelbild
press release (german)

M. Rohdenburg, M. Mayer, M. Grellmann, C. Jenne, T. Borrmann, F. Kleemiß, V.A. Azov, K.R. Asmis, S. Grabowsky, J. Warneke
Superelektrophiles Verhalten eines Anions demonstriert durch spontane Bindung von Edelgasen an [B12Cl11]⎺
Communication in Angew. Chem. 129 8090-6 (2017)
 DOI: 10.1002/ange.201702237  Titelbild

M.R. Fagiani, X. Song, S. Debnath, S. Gewinner, W. Schöllkopf, K.R. Asmis, F.A. Bischoff, F. Müller, J. Sauer
Dissociative Water Adsorption by Al3O4 + in the Gas Phase
Letter in J. Phys. Chem. Lett 8 1272-7 (2017)
DOI: 10.1021/acs.jpclett.7b00273

X. Song,  M.R. Fagiani, S. Gewinner, W. Schöllkopf, K.R. Asmis, F.A. Bischoff, F. Berger, J. Sauer
Gas Phase Vibrational Spectroscopy of the Aluminum Oxide Anions (Al2O3)1-6AlO2⎺
Communication in ChemPhysChem 18 868-72 (2017)
DOI: 10.1002/cphc.201700089 cover

M.R. Fagiani, X. Song, P. Petkov, S. Debnath, S. Gewinner, W. Schöllkopf, T. Heine, A. Fielicke, K.R. Asmis
Structure and Fluxionality of B13+ Probed by Infrared Photodissociation Spectroscopy
Communication in Angew. Chem. Int. Ed. 56 501-4 (2017)

DOI: 10.1002/anie.201609766       cover
German press release (Universität Leipzig)
English press release (Fritz-Haber-Institut Berlin)

M.R. Fagiani, X. Song, P. Petkov, S. Debnath, S. Gewinner, W. Schöllkopf, T. Heine, A. Fielicke, K.R. Asmis
Untersuchung der Struktur und Dynamik des B13+ mithilfe der Infrarot-Photodissoziationsspektroskopie
Communication in Angew. Chem.  129 515-9 (2017)
DOI: 10.1002/ange.201609766       Titelbild

C.T. Wolke, J.A. Fournier, L.C. Dzugan, M.R. Fagiani, T.T. Odbadrakh, H. Knorke, K.D. Jordan, A.B. McCoy, K. R. Asmis, M.A. Johnson
Spectroscopic snapshots of the proton transfer mechanism in water
Report in Science 354 1131-5  (2016)
DOI: 10.1126/science.aaf8425 
German press release
YouTube video
Perspective
M.R. Fagiani, H. Knorke, T. Esser, N. Heine, C.T. Wolke, S. Gewinner, W. Schöllkopf, M.-P. Gaigeot, R. Spezia, M.A. Johnson, K.R. Asmis
Gas Phase Vibrational Spectroscopy of the Protonated Water Pentamer: The Role of Isomers and Nuclear Quantum Effects
Phys. Chem. Chem. Phys. 18 26743-54 (2016)
DOI: 10.1039/C6CP05217G
E.C. Stanca-Kaposta, F. Schwaneberg, M.R. Fagiani, M. Lalanne, L. Wöste, K.R. Asmis
Infrared Photodissociation Spectroscopy of C4Nˉ, C6Nˉ and C8Nˉ
Article in ChemPhysChem 17 3783-9 (2016)
 DOI: 10.1002/cphc.201600598
X. Song, M.R. Fagiani, S. Gewinner, W. Schöllkopf, K.R. Asmis, F.A. Bischoff, F. Berger, J. Sauer
Gas Phase Structures and Charge Localization in Small Aluminum Oxide Anions: Infrared Photodissociation Spectroscopy and Electronic Structure Calculations
Article in J. Chem. Phys. 144 244305 (2016)
 DOI: 10.1063/1.4954158
C. Appiah, K.R. Siefermann, M. Jorewitz, H. Barqawi, W.H. Binder
Synthesis and characterization of new photoswitchable azobenzene-containing poly(ε-caprolactones)
Article in RSC Adv. 6 6358-6367 (2016)
DOI: 10.1039/C5RA25216D

M.L. Weichman, X. Song, M.R. Fagiani, S. Debnath, D.M. Neumark, K.R. Asmis
Gas Phase Vibrational Spectroscopy of Cold (TiO2)n¯ (n=3-8) Clusters
Article in J. Chem. Phys. 144 124308 pp. 1-11  (2016)

DOI: 10.1063/1.4942194
T. Wende, N. Heine, T.I. Yacovitch, K.R. Asmis, D.M. Neumark, L. Jiang
Probing the Microsolvation of a Quaternary Ion Complex: Gas Phase Vibrational Spectroscopy of (NaSO4¯)2(H2O)n=0-8
Article in Phys. Chem. Chem. Phys. 18 267-77 (2016)
DOI: 10.1039/c5cp05762k
N. Heine, M.R. Fagiani, K.R. Asmis
Disentangling the Contribution of Multiple Isomers to the Infrared Spectrum of the Protonated Water Heptamer
Letter in J. Phys. Chem. Lett. 6 2298-304 (2015)
DOI: 10.1021/acs.jpclett.5b00879
S.-T. Sun, L. Jiang, J.W. Liu, N. Heine, T.I. Yacovitch, T. Wende, K.R. Asmis, D.M. Neumark, Z.-F. Liu,
Microhydrated Dihydrogen Phosphate Clusters Probed by Gas Phase Vibrational Spectroscopy and First Principles Calculations
Article in Phys. Chem. Chem. Phys. 17  25714-24 (2015)
 DOI: 10.1039/C5CP02253C
C.T. Wolke, F.S. Menges, N.Tötsch, O. Gorlova, J.A. Fournier, G.H. Weddle, M.A. Johnson, N. Heine, T.K. Esser, H. Knorke, K.R. Asmis, A.B. McCoy , D.J. Arismendi-Arrieta, R. Prosmiti, F. Paesani
Thermodynamics of Water Dimer Dissociation in the Primary Hydration Shell of the Iodide Ion with Temperature-Dependent Vibrational Predissociation Spectroscopy
Article in J. Phys. Chem. A 119 1859-66 (2015)
DOI: 10.1021/jp510250n
M.R Fagiani, L.L. Zeonjuk, T.K. Esser, D. Gabel, T. Heine, K.R. Asmis, and J. Warneke
Opening of an Icosahedral Boron Framework: A Combined Infrared Spectroscopic and Computational Study
Editor's Choice Article in Chem. Phys. Lett. 625 48-52 (2015)
DOI: 10.1016/j.cplett.2015.02.030

N. Heine and K.R. Asmis
Cryogenic Ion Trap Vibrational Spectroscopy of Hydrogen-Bonded Clusters Relevant to Atmospheric Chemistry
Invited Review Article in Int. Rev. Phys. Chem. 34 1-34 (2015). Corrigendium:  35 507 (2016).
DOI: 10.1080/0144235X.2014.979659
DOI: 10.1080/0144235X.2016.1203533
J.A. Fournier, C.T. Wolke, C.J. Johnson, M.A. Johnson, N. Heine, S. Gewinner, W. Schöllkopf, T.K. Esser, M.R. Fagiani, H. Knorke, K.R. Asmis, "Site-specific spectral signatures of water molecules in the “magic” H3O+(H2O)20 and Cs+(H2O)20 clusters in the regions of the OH(D) stretches and low frequency librations (215-1000 cm-1)". Article in PNAS 111  18132–7 (2014). doi: 10.1073/pnas.1420734111
G.B.S. Miller, T.K. Esser, H. Knorke, S. Gewinner, W. Schöllkopf, N. Heine, K.R. Asmis, E. Uggerud, „Spectroscopic Identification of a Bidentate Binding Motif in the Anionic Magnesium-CO2 Complex ([ClMgCO2]–“. Communication in Angew. Chem. Int. Ed. 53 14407-10 (2014).  DOI: 10.1002/anie.201409444
T.M. Maier, A.D. Boese, J. Sauer, T. Wende, M. Fagiani, K.R. Asmis,"The vibrational spectrum of FeO2+ isomers-Theoretical benchmark and experiment". Article in J. Chem. Phys. 140 204315 (2014). DOI: 10.1063/1.4878667

E.C. Stanca-Kaposta, F. Schwaneberg, M.R. Fagiani, T. Wende, F. Hagemann, A. Wünschmann, L. Wöste, K.R. Asmis, "Infrared Photodissociation Spectroscopy of C2n+1N− Anions with n = 1–5", Article in Z. Phys. Chem. 228 351-68 (2014). 

DOI: 10.1515/zpch-2014-0507
N. Heine, E.G. Kratz, R. Bergmann, D.P. Schofield, K.R. Asmis, K.D. Jordan, A.B. McCoy, "Vibrational Spectroscopy of the Water-Nitrate Complex in the O-H Stretching Region", Article in J. Phys. Chem. A 118 8188-97 (2014). DOI: 10.1021/jp500964j

N. Heine, T. Yacovitch, F. Schubert, C. Brieger, D.M. Neumark, K.R. Asmis "Infrared Photodissociation Spectroscopy of Microhydrated Nitrate-Nitric Acid Clusters NO3¯ (HNO3)m(H2O)n", Article in J. Phys. Chem. A 118 7613-22 (2014). DOI: 10.1021/jp412222q
L. Jiang, S.-T. Sun, N. Heine, J.-W. Liu, T.I. Yacovitch, T. Wende, Z.-F. Liu, D.M. Neumark, K.R. Asmis, "Large amplitude motion in cold monohydrated dihydrogen phosphate anion H2PO4-(H2O): infrared photodissociation spectroscopy combined with ab initio molecular dynamics simulations". Communication in Phys. Chem. Chem. Phys.16 1314-8 (2014). DOI:10.1039/C3CP54250E
Otero, I.; López, E. R.; Reichelt, M.;  Villanueva, M.; Salgado, J.; Fernández, J., "Ionic Liquids Based on Phosphonium Cations As Neat Lubricants or Lubricant Additives for a Steel/Steel Contact"
Appl. Mater. Interfaces, 6 (2014), 13115-13128
Otero, I.; López, E. R.; Reichelt, M.; Fernández, J.,"Tribo-chemical reactions of anion in pyrrolidinium salts for steel–steel contact"
Tribol. Int., 77 (2014), 160-170
Otero, I.; López, E. R.; Reichelt, M.; Fernández, J., "Friction and anti-wear properties of two tris(pentafluoroethyl)trifluorophosphate ionic liquids as neat lubricants"
Tribol. Int., 70 (2014), 104-111
M. Wanko, T. Wende, M.M. Saralegui, L. Jiang, A. Rubio, K.R. Asmis, "Solvent-mediated folding in dicarboxylate dianions: aliphatic chain length dependence and origin of the IR intensity quenching", Article in Phys. Chem. Chem. Phys. 15 20463-72 (2013). DOI: 10.1039/c3cp52824c

T.I. Yacovitch, N. Heine, C. Brieger, T. Wende, C. Hock, D.M. Neumark, K.R. Asmis, "Vibrational Spectroscopy of Bisulfate/Sulfuric Acid/Water Clusters: Structure, Stability and IRMPD Intensities", Article in J. Phys. Chem. A 117 7081−90 (2013).

DOI: 10.1021/jp400154v

N. Heine, M.R. Fagiani, M. Rossi, T. Wende, G. Berden, V. Blum, K.R. Asmis, "Isomer-Selective Detection of Hydrogen-Bond Vibrations in the Protonated Water Hexamer", Article in J. Am. Chem. Soc. 135 8266–73 (2013). 

DOI: 10.1021/ja401359t
N. Dietl, T. Wende, K. Chen, L. Jiang, M. Schlangen, X. Zhang, K. Asmis, H. Schwarz, "Structure and Chemistry of the Heteronuclear Oxo-Cluster [VPO4]•+: A Model System for the Gas-phase Oxidation of Small Hydrocarbons", Article in J. Am. Chem. Soc. 135 3711−21 (2013). DOI: 10.1021/ja400198y

T.C. Cheng, L. Jiang, K.R. Asmis, Y. Wang, J.M. Bowman, A.M. Ricks, M.A. Duncan,

"Mid- and Far-IR Spectra of H5+ and D5+ Compared to the Predictions of Anharmonic Theory", Letter in J. Phys. Chem. Lett. 3 3160-6 (2012). DOI: 10.1021/jz301276f

E. Janssens, S.M. Lang, M. Brümmer, A. Niedziela, G. Santambrogio, K.R. Asmis, J.

Sauer, “Kinetic Study of the Reaction of Vanadium and Vanadium-Titanium Oxide Cluster

Anions with SO2“, Paper in Phys. Chem. Chem. Phys. 14 14344–53 (2012).

DOI: 10.1039/c2cp42201h

T.I. Yacovitch, N. Heine, C. Brieger, T. Wende, C. Hock, D.M. Neumark, K.R.

Asmis,“Vibrational Spectroscopy of Atmospherically Relevant Acid Cluster Anions
– Bisulfate Versus Nitrate Core Structures”, Communication in J. Chem. Phys. 136
241102 1-4 (2012). DOI: 10.1063/1.4732148

K.R. Asmis, “Structure Characterization of Metal Oxide Clusters by Vibrational

Spectroscopy: Possibilities and Prospects”, Perspective in Phys. Chem. Chem. Phys. 14
9270-81 (2012). DOI: 10.1039/C2CP40762K
K.R. Asmis, T. Wende, M. Brümmer, O. Gause, G. Santambrogio, E.C. Stanca-Kaposta, J. Döbler, A. Niedziela, J. Sauer, “Structural Variability in Transition Metal Oxide Clusters: Gas Phase Vibrational Spectroscopy of V3O6-8+ ”, Article in Phys. Chem. Chem. Phys. 14 9377-88 (2012). DOI: 10.1039/C2CP40245A.

K.R. Asmis, D.M. Neumark, “Vibrational Spectroscopy of Microhydrated Conjugate Base Anions”, Invited Review Article in Accts. Chem. Res. 45 43-52 (2012).

DOI: 10.1021/ar2000748.
A.M. Burow, M. Sierka, R. Wlodarczyk, J. Sauer, T. Wende, P. Claes, L. Jiang, G. Meijer, P. Lievens, K.R. Asmis, “Structures and vibrational spectroscopy of partially reduced gas-phase cerium oxide clusters”, Article in Phys. Chem. Chem. Phys. 13 19393-400 (2011). DOI: 10.1039/c1cp22129a.
T.I. Yacovitch, T. Wende, L. Jiang, N. Heine, G. Meijer, D.M. Neumark, K.R. Asmis, “Infrared Spectroscopy of Hydrated Bisulfate Anion Clusters: HSO4-(H2O)1-16”, Letter in J. Phys. Chem. Lett. 2 2135-40 (2011). DOI: 10.1021/jz200917f.
M. Savoca, T. Wende, L. Jiang, J. Langer, G. Meijer, O. Dopfer, K.R. Asmis, “Infrared Spectra and Structures of Silver-PAH Cation Complexes”, Letter in J. Phys. Chem. Lett. 2 2052-6 (2011). DOI: 10.1021/jz2009242.
L. Jiang, T. Wende, P. Claes, S. Bhattacharyy, M. Sierka , G. Meijer, P. Lievens, J. Sauer, K.R. Asmis, “Electron Distribution in Partially Reduced Mixed Metal Oxide Systems: Infrared Spectroscopy of CmVnOo+ Gas-Phase Clusters”, Article in J. Phys. Chem. A (Hobza Festschrift) 115 11187–92 (2011). DOI: 10.1021/jp203276g.
T. Wende, M. Wanko, L. Jiang, G. Meijer, K.R. Asmis, A. Rubio, “Spectroscopic Characterization of Solvent-Mediated Folding in Microhydrated Dicarboxylate Dianions”, Article in Angew. Chem. Int. Ed. 50 3807-10 (2011) DOI: 10.1002/anie.201006485 and Angew. Chem. 123 3891-4 (2011). DOI: 10.1002/ange.201006485.

L. Lin, P. Claes, T. Höltzl, E. Janssens, T. Wende, R. Bergmann, G. Santambrogio, G. Meijer, K.R. Asmis, M. T. Nguyen, P. Lievens, “The Structure of Au6Y+ in the Gas Phase”, Communication in Phys. Chem. Chem. Phys. 12 13907-13 (2010).

DOI: 10.1039/C0CP00911C.
T. Wende, J. Döbler, L. Jiang, P. Claes, E. Janssens, P. Lievens, G. Meijer, K.R. Asmis, J. Sauer, “Infrared Spectroscopic Characterization of the Oxidative Dehydrogenation of Propane by V4O10+”, Invited Article in Int. J. Mass Spectrom. 297 102-6 (2010). DOI:10.1016/j.ijms.2010.06.033.
D.J. Goebbert, T. Wende, L. Jiang, G. Meijer, A. Sanov, K.R. Asmis “IR Spectroscopic Characterization of the Thermally Induced Isomerization in Carbon Disulfide Dimer Anions”, Letter in J. Phys. Chem. Lett. 1 2465–2469 (2010). DOI: 10.1021/jz100841e.
L. Jiang, T. Wende, R. Bergmann, G. Meijer, K.R. Asmis, “Gas-Phase Vibrational Spectroscopy of Microhydrated Magnesium Nitrate Ions [MgNO3(H2O)1-4]+”, Article in J. Am. Chem. Soc. 132 7398–7404 (2010). DOI: 10.1021/ja1011806.
E. Garand, T. Wende, D.J. Goebbert, R. Bergmann, G. Meijer, D.M. Neumark, K.R. Asmis, "Infrared Spectroscopy of Hydrated Bicarbonate Anion Clusters: HCO3-(H2O)1-10”, Article in J. Am. Chem. Soc. 132 849–856 (2010). DOI: 10.1021/ja9093132.

D.J. Goebbert, E. Garand, T. Wende, R. Bergmann, G. Meijer, K.R. Asmis, D.M. Neumark, "Spectroscopy of the Microhydrated Nitrate Ions NO3-(H2O)1-6", Article in J. Phys. Chem. A (R. Gerber Festschrift) 113 7584-7592 (2009).

DOI: 10.1021/jp9017103.
D.J. Goebbert, G. Meijer, K.R. Asmis, “10 K Ring Electrode Trap—Tandem Mass Spectrometer for Infrared Spectroscopy of Mass Selected Ions”, Article in AIP Conf. Proc. 1104 22 (2009).
D.J. Goebbert, T. Wende, R. Bergmann, G. Meijer, K.R. Asmis, “Messenger-Tagging Electrosprayed Ions: Vibrational Spectroscopy of Suberate Dianions", Article in J. Phys. Chem. A 113 5874-5880 (2009). DOI: 10.1021/jp809390x.
Y. Yang, O. Kühn, G. Santambrogio, D.J. Goebbert, K.R. Asmis, “Vibrational Signatures of Hydrogen Bonding in the Protonated Ammonia Clusters NH4+(NH3)1-4”, Article in J. Chem. Phys.129 224302 1-8 (2008).
G. Santambrogio, E. Janssens, S. Li, T. Siebert, G. Meijer, K.R. Asmis, Jens Döbler, M. Sierka, J. Sauer, ”Identification of Conical Structures in Small Aluminum Oxide Clusters: Infrared Spectroscopy of (Al2O3)1−4(AlO)+”, Article in J. Am. Chem. Soc. 130, 15143-15149 (2008). DOI: 10.1021/ja805216e.

G. Santambrogio, M. Brümmer, L. Wöste, J. Döbler, M. Sierka, J. Sauer, G. Meijer, K.R. Asmis, "Gas Phase Infrared Spectroscopy of Vanadium Oxide Cluster Anions", Article in Phys. Chem. Chem. Phys. 10, 3992-4005 (2008).

DOI: 10.1039/B803492C.
E. Garand, D. Goebbert, G. Santambrogio, E. Janssens, P. Lievens, G. Meijer, D. M. Neumark, K.R. Asmis, “Vibrational Spectra of Small Silicon Monoxide Cluster Cations Measured by Infrared Multiple Photon Dissociation Spectroscopy”, Article in Phys. Chem. Chem. Phys. 10, 1502-6 (2008). DOI: 10.1039/B716627C.

K.R. Asmis, Y. Yang, G. Santambrogio, M. Brümmer, L.R. McCunn, M.A. Johnson, O. Kühn, "Gas Phase Infrared Spectroscopy and Multidimensional Calculations of the Protonated Ammonia Dimer N2H7+", Communication in Angew. Chem. Int. Ed. 46, 8691-4 (2007).DOI: 10.1002/anie.200702607.
Y. Miller, G.M. Chaban, J. Zhou, G. Santambrogio, K.R. Asmis, D.M. Neumark, R.B. Gerber, “Vibrational Spectroscopy of (SO42-)·(H2O)n Clusters, n=1-5: Harmonic and Anharmonic Calculations, and Experiment”, Article in J. Chem. Phys. 127, 094305-1-11 (2007).
S. Feyel, H. Schwarz, D. Schröder, C. Daniel, H. Hartl, J. Döbler, J. Sauer, G. Santambrogio, L. Wöste, and K.R. Asmis, “Gas-Phase Infrared Photodissociation Spectroscopy of Tetravanadium-oxo and –oxomethoxo Cluster-Anions”, Communication in ChemPhysChem, 8 1640-7 (2007).
K.R. Asmis, J. Sauer, "Mass-selective Vibrational Spectroscopy of Vanadium Oxide Clusters”, Invited Review Article in Mass. Spectrom. Rev. 26, 542-62 (2007).
K.R. Asmis, G. Santambrogio, J. Zhou, E. Garand, J. Headrick, D. Goebbert, M.A. Johnson, D.M. Neumark, “Vibrational Spectroscopy of Hydrated Electron Clusters (H2O)15-50¯ via Infrared Multiple Photon Dissociation”, Communication to J. Chem. Phys. 126, 191105-1-5 (2007). DOI:10.1063/1.2741508.

M. Sierka, J. Döbler, J. Sauer, G. Santambrogio, M. Brümmer, L. Wöste, E. Jannsens, G. Meijer, K.R. Asmis, "Unexpected Structures of Aluminum Oxide Clusters in the Gas Phase", Communication in Angew. Chem. Int. Ed. 46, 3372-5 (2007).

DOI: 10.1002/anie.200604823.
J. Zhou, G. Santambrogio, M. Brümmer, D.T. Moore, L. Wöste, G. Meijer, D.M. Neumark, K.R. Asmis, "Probing the Stepwise Solvation of the Sulfate Dianion: Gas Phase Infrared Spectroscopy of (SO42)·(H2O)n Clusters (n=3-24)", Communication in J. Chem. Phys. 125, 111102-1-4 (2006).
E. Janssens, G. Santambrogio, M. Brümmer, L. Wöste, P. Lievens, J. Sauer, G. Meijer, K.R. Asmis, "Isomorphous Substitution in Bimetallic Oxide Clusters", Letter in Phys. Rev. Lett. 96, 233401-233404 (2006).

K.R. Asmis, G. Santambrogio, M. Brümmer, J. Sauer, "Polyhedral Vanadium Oxide Cages: Infrared Spectra of Cluster Anions and Size-Induced d-Electron Localization", Communication in Angew. Chem. Int. Ed. 44, 3122-3125 (2005).

DOI: 10.1002/anie.200462894.
M.J. Nee, C. Kaposta, A. Osterwalder, C. Cibrián Uhalte, T. Xie, A. Kaledin, S. Carter, J.M. Bowman, D.M. Neumark, K.R. Asmis, "Experimental and theoretical study of the infrared spectra of BrHI¯ and BrDI¯", Article in J. Chem. Phys. 121, 7259-7268 (2004).
K.R. Asmis, M. Brümmer, C. Kaposta, G. Santambrogio, J. Sauer, G. Meijer, and L. Wöste, "Infrared Vibrational Predissociation Spectroscopy of Mono- and Divanadium Oxide Cluster Cations: A Combined Experimental and Ab Initio Study”, Article in J. Chem. Phys. 120, 6461-6470 (2004).
M. Brümmer, C. Kaposta, G. Santambrogio, K.R. Asmis, "Formation and Photodepletion of Cluster Ion–Messenger Atom Complexes in a Cold Ion Trap: Infrared Spectroscopy of VO+, VO2+ and VO3+", Communication in J. Chem. Phys. 119, 12700-12703 (2003).

H. Haberkern, K.R. Asmis, M. Allan, P. Swiderek, "Triplet states in Oligomeric Materials: Electron Energy Loss Spectroscopy of Thiophene and Bithiophene and Extrapolation to the Polymer", Article in Phys. Chem. Chem. Phys. 5, 827-833 (2003).

DOI: 10.1039/B210845C.

K.R. Asmis, N.L. Pivonka, G. Santambrogio, M. Brümmer, C. Kaposta, D.M. Neumark, L. Wöste, "The Gas-Phase Infrared Spectrum of the Protonated Water Dimer", Report in Science 299, 1375-1377 (2003). DOI:10.1126/science.1081634.
N.L. Pivonka, C. Kaposta, M. Brümmer, G. von Helden, G. Meijer, L. Wöste, D.M. Neumark, K.R. Asmis, "Probing a Strong Hydrogen Bond with Infrared Spectroscopy: Vibrational Predissociation of BrHBr¯•Ar", Communication in J. Chem. Phys. 118, 5275-5278 (2003).
N.L. Pivonka, C. Kaposta, G. von Helden, G. Meijer, L. Wöste, D.M. Neumark, K.R. Asmis, "Gas Phase Infrared Spectroscopy of Cluster Anions as a Function of Size: The Effect of Solvation on Hydrogen-Bonding in Br¯(HBr)1,2,3 Clusters", Full article in J. Chem. Phys. 117, 6493-6499 (2002).

K.R. Asmis, M. Brümmer, C. Kaposta, G. Santambrogio, G. von Helden, G. Meijer, K. Rademann, L. Wöste, "Mass-selected Infrared Photodissociation Spectroscopy of V4O10+", Communication in Phys. Chem. Chem. Phys. 4, 1101-1104 (2002).

DOI: 10.1039/B111056J.

H. Hess, K.R. Asmis, T. Leisner, L. Wöste, "Vibrational Wave Packet Dynamics in the Silver Tetramer Probed by NeNePo Femtosecond Pump-Probe Spectroscopy", Article in Eur. Phys. J. D 16, 145-149 (2001).
T.R. Taylor, H. Gomez, K.R. Asmis, D.M. Neumark, "Photoelectron Spectroscopy of GaX2¯, Ga2X¯, Ga2X2¯, and Ga2X3¯ (X = P, As)", Article in J. Chem. Phys. 115, 4620-4631 (2001).
K.R. Asmis, T.R. Taylor, D.M. Neumark, "Anion Photoelectron Spectroscopy of Small Boron Nitride Clusters: Adiabatic Detachment Energies and Vibrational Frequencies of B2N and B3N", Article in Eur. Phys. J. D 9, 257-261 (1999).
T.R. Taylor, K.R. Asmis, H. Gomez, D.M. Neumark, "Vibrationally Resolved Anion Photoelectron Spectra of the Low Lying Electronic States of GaP2¯, Ga2P¯ and Ga2P3¯", Article in Eur. Phys. J. D 9, 317-21 (1999).
K.R. Asmis, T.R. Taylor, D.M. Neumark, "Anion Photoelectron Spectroscopy of B3N¯", Article in J. Chem. Phys. 111, 10491-10500 (1999).
K.R. Asmis, T.R. Taylor, D.M. Neumark, "Anion Photoelectron Spectroscopy of B2N¯", Article in J. Chem. Phys. 111, 8838-8851 (1999).
K.R. Asmis, T.R. Taylor, D.M. Neumark, "Electronic Structure of Indium Phosphide Clusters: Anion Photoelectron Spectroscopy of InxPx¯ and Inx+1Px¯ (x = 1-13) Clusters", Article in Chem. Phys. Lett. 308, 347-354 (1999).
T.R. Taylor, K.R. Asmis, M.T. Zanni, D.M. Neumark, "Characterization of the I3 Radical by Anion Photoelectron Spectroscopy", Communication in J. Chem. Phys. 110, 7607-9 (1999).
T.R. Taylor, R.T. Bise, K.R. Asmis, D.M. Neumark, "The Singlet-Triplet Splittings of NCN", Article in Chem. Phys. Lett. 301, 413-6 (1999).
T.R. Taylor, K.R. Asmis, C. Xu, D.M. Neumark, "Evolution of Electronic Structure as a Function of Size in Gallium Phosphide Semiconductor Clusters", Article in Chem. Phys. Lett. 297, 133-40 (1998).
T. Lenzer, M.R. Furlanetto, K.R. Asmis, D.M. Neumark, "Zero Electron Kinetic Energy and Photoelectron Spectroscopy of the XeI¯ Anion", Article in J. Chem. Phys. 109, 10754-10766 (1998).
K.R. Asmis, T.R. Taylor, D.M. Neumark, "Anion Photoelectron Spectroscopy of BN¯ ", Article in Chem. Phys. Lett. 295, 75-81 (1998).
K.R. Asmis, T.R. Taylor, C. Xu, .M. Neumark, "Anion Photoelectron Spectroscopy of I2¯·Arn (n = 0 - 14, 16, 20) Clusters", Article in J. Chem. Phys. 109, 4389-4395 (1998).

V. Huber, K.R. Asmis, A.-C. Sergenton, M. Allan, S. Grimme , "Electron-Energy-Loss and DFT/SCI Study of the Singlet and Triplet Excited States and Electron Attachment Energies of Tetramethylsilane, Hexamethyldisilane, Tris-(trimethylsilyl)-Silane, and Tetra-Methoxysilane", Article in J. Chem. Phys. A 102, 3524-3531 (1998).

DOI: 10.1021/jp980537n.
K.R. Asmis, M. Allan, "Measurement of Absolute Differential Cross Sections for the Excitation of the p,p* Triplet State of Ethene by Electron Impact at 0 and 180 Degrees", Article in J. Chem. Phys. 106, 7044-7046 (1997).
K.R. Asmis, M. Allan, "Measurement of Absolute Differential Cross Sections for the Excitation of the n = 2 States of Helium at 0 and 180 Degrees", Article in J. Phys. B 30, 1961-1974 (1997).
K.R. Asmis, M. Allan, "Excess Energy Partition Between Electrons Departing at 0 and 180 Degrees in the Ionization of Helium Near Threshold", Letter in J. Phys. B 30, L167-173 (1997).
K.R. Asmis, M. Allan, M. Fülscher, "Electron Energy-Loss Spectroscopy and Theoretical Study of Triplet and Singlet Excited States of Fulvene", Article in J. Phys. Chem. A 101, 2089-2095 (1997). DOI: 10.1021/jp963129x.
M. Allan, K.R. Asmis, D.B. Popovic, M. Stepanovic, N.J. Mason, J.A. Davies, "Resonances in Collisions of Low-Energy Electrons with Ozone: Experimental Elastic and Vibrationally Inelastic Differential Cross Sections and Dissociative Attachment Spectra", Article in J. Phys. B 29, 4727-4747 (1996).
M. Allan, K.R. Asmis, D.B. Popovic, M. Stepanovic, N.J. Mason, J.A. Davies, "Production of Vibrationally Autodetaching O2¯ Produced in Low-Energy Electron Impact on Ozone", Article in J. Phys. B 29, 3487-3495 (1996).
L.Truttmann, K.R. Asmis, T. Bally, "Electronic and Vibrational Structure and Scaled Density Functional Force Field of Cyclopentadiene and Its Radical Cation", Article in J. Phys. Chem. 99, 17844-17851 (1995). DOI: 10.1021/j100051a008.
M.Allan, K.R. Asmis, S.El houar, E. Haselbach, M.Capponi, B. Urwyler, J. Wirz, "Triplet Energy of 2,2-Dimethylisoindene from Electron Energy-Loss Spectroscopy and Photoinduced Triplet Energy Transfer", Article in Helv. Chim. Acta 77, 1541-1548 (1994).
J.M. Smith, D.A. Hrovat, W.T. Borden, M. Allan, K.R. Asmis, C. Bulliard, E. Haselbach, U.C. Meier, "Synthesis and Spectroscopy of Tricycloundec-3(7)-ene:
Confirmation of Computational Predictions Regarding the Effects of Pyramidalization on Alkene Ionization Energies and Electron Affinities", Note in J. Am. Chem. Soc. 115, 3816-3817 (1993).

M. Allan, K. Asmis, C. Bulliard, E. Haselbach, P. Suppan, "Triplet-State Energy of the Photostabilizer Tinuvin P”, Article in Helv. Chim. Acta 76, 993-994 (1993).

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