Computational Photophysics - Publications

Only publications from Innsbruck are shown below. Please see my Publons profile for a complete list.

73. T. Schwab, M. Niedermaier, G. A. Zickler, M. Ončák, O. Diwald: Isolated Cobalt Ions Embedded in Magnesium Oxide Nanostructures: Spectroscopic Properties and Redox Activity. Chem. Eur. J., in print. DOI: chem.202002817

72. T. F. Pascher, E. Barwa, C. van der Linde, M. K. Beyer, M. Ončák: Photochemical Activation of Carbon Dioxide in Mg+(CO2)(H2O)0,1Theor. Chem. Acc. 139, 127 (2020). DOI: 10.1007/s00214-020-02640-w  

71. Hot Paper: E. Arthur-Baidoo, J. Ameixa, P. Ziegler, F. Ferreira da Silva, M. Ončák, S. Denifl: Reactions in tirapazamine induced by the attachment of low‐energy electrons: Dissociation versus roaming of OH. Angew Chem Int. Ed., in print. DOI: 10.1002/anie.202006675

70. N. K. Bersenkowitsch, M. Ončák, J. Heller, T. Pascher, C. van der Linde, M. K. Beyer: Evidence for lactone formation during infrared multiple photon dissociation spectroscopy of bromoalkanoate doped salt clusters. Phys. Chem. Chem. Phys., 22, 12028-12038 (2020). DOI: 10.1039/d0cp00272k

69. J. Lengyel, M. Ončák, M. K. Beyer: Chemistry of NOx and HNO3 Molecules with Gas‐Phase Hydrated O•− and OH Ions. Chem. Eur. J., 26, 7861-7868 (2020). DOI: 10.1002/chem.202000322

68. T. F. Pascher, M. Ončák, C. van der Linde, M. K. Beyer: UV/VIS spectroscopy of Copper Formate Clusters: Insight into Metal-Ligand Photochemistry. Chem. Eur. J., 26, 8286-8295 (2020).  DOI: 10.1002/chem.202000280

67. E. Barwa, T. F. Pascher, M. Ončák, C. van der Linde, M. K. Beyer: Carbon Dioxide Activation at Metal Centers: Evolution of Charge Transfer from Mg+ to CO2 in [MgCO2(H2O)n]+, n = 0–8. Angew. Chem. Int. Ed. 59, 7467-7471 (2020). DOI: 10.1002/anie.202001292; Angew. Chem. 132, 7537-7541 (2020). DOI: 10.1002/ange.202001292.

66. B. Bastian, T. Michaelsen, M. Ončák, J. Meyer, R. Wester: F(H2O) + CH3I Ligand Exchange Reaction Dynamics  Chin. J. Chem. Phys., 33, 210-216 (2020). DOI: 10.1063/1674-0068/cjcp2002018.

65. B. Bastian, T. Michaelsen, L. Li, M. Ončák, J. Meyer, D. H. Zhang, R. Wester: Imaging Reaction Dynamics of F(H2O) and Cl(H2O) with CH3I J. Phys. Chem. A, 124, 1929–1939 (2020). DOI: 10.1021/acs.jpca.0c00098.

64. VIP Very Important Paper: E. Barwa, M. Ončák, T. F. Pascher, A. Herburger, C. van der Linde, M. K. Beyer: Infrared Multiple Photon Dissociation Spectroscopy of Hydrated Cobalt Anions Doped with Carbon Dioxide CoCO2(H2O)n, n = 1−10, in the C-O stretch region. Chem. Eur. J. 26, 1074-1081 (2020). DOI: 10.1002/chem.201904182

63. T. F. Pascher, M. Ončák, C. van der Linde, M. K. Beyer: Decomposition of Copper Formate Clusters: Insight into Elementary Steps of Calcination and Carbon Dioxide Activation. ChemistryOpen 8, 1453-1459 (2019). DOI: 10.1002/open.201900282

62. A. Herburger, E. Barwa, M. Ončák, J. Heller, C. van der Linde, D. M. Neumark, M. K. Beyer: Probing the Structural Evolution of the Hydrated Electron in Water Cluster Anions (H2O)n, n ≤ 200, by Electronic Absorption Spectroscopy. J. Am. Chem. Soc. 141, 18000-18003 (2019). DOI: 10.1021/jacs.9b10347

61. PCCP Editor's Choice: L. Kranabetter, N. K. Bersenkowitsch, P. Martini, M. Gatchell, M. Kuhn, F. Laimer, A. Schiller, M. K. Beyer, M. Ončák, Paul Scheier: Considerable Matrix Shift in the Electronic Transitions of Helium-Solvated Cesium Dimer Cation Cs2Hen+. Phys. Chem. Chem. Phys. 21, 25362-25368 (2019). DOI: 10.1039/c9cp04790e

60. M. Plattner, A. Baloglou, M. Ončák, C. van der Linde, M. K. Beyer:  Structural Properties of Gas-Phase Molybdenum Oxide Clusters [Mo4O13]2−, [HMo4O13], and [CH3Mo4O13] Studied by Collision-Induced Dissociation. J. Am. Soc. Mass Spectrom. 30, 1946-1955 (2019). DOI: 10.1007/s13361-019-02294-4

59. F. Gámez, A. Pysanenko, M. Fárník, M. Ončák: Ionization of carboxylic acid clusters in the gas phase and on free ArN and (H2O)N nanoparticles: valeric acid as a model for small carboxylic acids. Phys. Chem. Chem. Phys. 21, 19201 (2019), DOI: 10.1039/C9CP03279G

58. M. Ončák, R. Meißner, E. Arthur-Baidoo, S. Denifl, T. F. M. Luxford, A. Pysanenko, M. Fárník, J. Pinkas, J. Kočišek: Ring Formation and Hydration Effects in Electron Attachment to Misonidazole. Int. J. Mol. Sci. 20(18), 4383 (2019). DOI: 10.3390/ijms20184383

57. A. Herburger, M. Ončák, C.-K. Siu, E. G. Demissie, J. Heller, W. K. Tang, M. K. Beyer: Infrared Spectroscopy of Size-selected Hydrated Carbon Dioxide Radical Anions CO2•-(H2O)n (n = 2–61) in the C-O Stretch Region. Chem. Eur. J. 25, 10165-10171 (2019). DOI: 10.1002/chem.201901650

56. T. F. Pascher, M. Ončák, C. van der Linde, M. K. Beyer: Release of Formic Acid from Copper Formate: Hydride, Proton Coupled Electron and Hydrogen Atom Transfer All Play their Role. ChemPhysChem 20, 1420-1424 (2019). DOI: 10.1002/cphc.201900095

55. T. Taxer, M. Ončák, E. Barwa, C. van der Linde, M. K. Beyer: Electronic Spectroscopy and Nanocalorimetry of Hydrated Magnesium Ions [Mg(H2O)n]+, n = 20-70: Spontaneous Formation of a Hydrated Electron? Faraday Discuss. 217, 584-600 (2019). DOI: 10.1039/C8FD00204E

54. K. Grygoryeva, M. Ončák, A. Pysanenko, M. Fárník: Pyruvic acid proton and hydrogen transfer reactions in clusters. Phys. Chem. Chem. Phys. 21, 8221, (2019). DOI: 10.1039/c8cp07008c

53. E. Barwa, M. Ončák, T. F. Pascher, T. Taxer, C. van der Linde, M. K. Beyer: CO2/O2 Exchange in Magnesium-Water Clusters Mg+(H2O)n. J. Phys. Chem. A 123, 73-81 (2019). DOI: 10.1021/acs.jpca.8b10530

52. A. Baloglou, M. Ončák, M.-L. Grutza, C. van der Linde, P. Kurz, M. K. Beyer: Structural Properties of Gas Phase Molybdenum Sulfide Clusters [Mo3S13]2-, [HMo3S13]-, and [H3Mo3S13]+ as Model Systems of a Promising Hydrogen Evolution Catalyst. J. Phys. Chem. C 123, 8177-8186 (2019). DOI: 10.1021/acs.jpcc.8b08324

51. A. Herburger, M. Ončák, E. Barwa, C. van der Linde, M. K. Beyer: Carbon-Carbon Bond Formation in the Reaction of Hydrated Carbon Dioxide Radical Anions with 3-Butyn-1-ol. Int. J. Mass Spectrom. 435, 101-106 (2019). DOI: 10.1016/j.ijms.2018.10.019

50. J. Heller, M. Ončák, N. K. Bersenkowitsch, C. van der Linde, M. K. Beyer: Infrared Multiple Photon Dissociation of Cesium Iodide Clusters Doped with Mono-, Di- and Triglycine. Eur. J. Mass Spectrom. 25, 122-132 (2019). DOI: 10.1177/1469066718803307

49. J. Lengyel, M. Ončák, M. Fárník: Role of Water in Chemistry: Molecular Point of View (in Czech). Chem. Listy 112, 819 (2018). Link

48. M. Ončák, T. Taxer, E. Barwa, C. van der Linde, M. K. Beyer: Photochemistry and Spectroscopy of Small Hydrated Magnesium Clusters Mg+(H2O)n, n = 1–5. J. Chem. Phys. 149, 044309 (2018). DOI: 10.1063/1.5037401

47. VIP Very Important Paper: N. K. Bersenkowitsch, M. Ončák, J. Heller, C. van der Linde, M. K. Beyer: Photodissociation of Sodium Iodide Clusters Doped with Small Hydrocarbons. Chem. Eur. J. 24, 12433-12443 (2018). DOI: 10.1002/chem.201803017

46. N. K. Bersenkowitsch, M. Ončák, C. van der Linde, A. Herburger, M. K. Beyer: Photochemistry of glyoxylate embedded in sodium chloride clusters, a laboratory model for tropospheric sea-salt aerosols. Phys. Chem. Chem. Phys. 20, 8143-8151 (2018). DOI: 10.1039/c8cp00399h

45. A. Kaiser, J. Postler, M. Ončák, M. Kuhn, M. Renzler, S. Spieler, M. Simpson, M. Gatchell, M. K. Beyer, R. Wester, F. Gianturco, P. Scheier: Isomeric Broadening of C60+ Electronic Excitation in Helium Droplets: Experiments Meet Theory. J. Phys. Chem. Lett. 9, 1237-1242 (2018). DOI: 10.1021/acs.jpclett.8b00150

44. A. Baloglou, M. Ončák, C. van der Linde, M. K. Beyer: Gas-Phase Reactivity Studies of Small Molybdenum Cluster Ions with Dimethyl Disulfide. Top. Catal. 61, 20-27 (2018). DOI: 10.1007/s11244-017-0864-3

43. J. Lengyel, M. Ončák, A. Herburger, C. van der Linde, M. K. Beyer: Infrared spectroscopy of O˙ and OH in water clusters: evidence for fast interconversion between O˙ and OH˙OH. Phys. Chem. Chem. Phys. 19, 25346-25351 (2017). DOI: 10.1039/c7cp04577h

42. M. S. Sammon, M. Ončák, M. K. Beyer: Theoretical simulation of the infrared signature of mechanically stressed polymer solids. Beilstein J. Org. Chem. 13, 1710-1716 (2017). DOI: 10.3762/bjoc.13.165

41. J. Lengyel, M. Ončák, J. Fedor, J. Kočišek, A. Pysanenko, M. K. Beyer, M. Fárník: Electron-triggered chemistry in HNO3/H2O complexes. Phys. Chem. Chem. Phys. 19, 11753-11758 (2017). DOI: 10.1039/c7cp01205e

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