Computational Photophysics - Publications
Only publications from Innsbruck are shown below.
147. S. Jin, M. Flach, A. Ebenbichler, E. M. Cunningham, V. Zamudio-Bayer, K. Hirsch, C. van der Linde, N. Przybilla, M. Ončák, J. T. Lau, M. K. Beyer: X-ray absorption spectroscopy of FeH+ to aid its identification in astrochemical environments. Chem. Comm., accepted. DOI: 10.1039/D4CC04702H
146. M. Zeilerbauer, M. Thaler, B. Obwaller, M. Ončák, L. L. Patera: Imaging Dihydrogen Bond-Driven Assembly of Borazine on Au(111). Chem. Eur. J., accepted. DOI: 10.1002/chem.202403996
145. J. Chen, E. Arthur-Baidoo, L. Schorr, M. Ončák, M. Mahmoodi-Darian, S. Denifl: Electron attachment induced dissociation of the radiosensitizer molecule 1-(4-bromo-3-nitrophenyl)-1-propanone. Phys. Scr., 100, 015407 (2025). DOI: 10.1088/1402-4896/ad97f2
144. B. Kocábková, G. Schöpfer, J. Ďurana, J. Rakovský, V. Poterya, M. Gatt, D. Jank, M. Ončák, M. Fárník: Electron attachment to CCl3COOH molecule and clusters. Phys. Scr. 99, 125410 (2024). DOI: 10.1088/1402-4896/ad908e
143. S. Jin, M. Juanes, C. van der Linde, M. Ončák, M. K. Beyer: Symmetry reduction induced by argon tagging gives access to low-lying excited states of FeH+ in the overtone region of the Fe-H stretching mode. Phys. Chem. Chem. Phys., 26, 26363-26369 (2024). DOI: 10.1039/D4CP03270E
142. Editor's Suggestion: V. C. Schmidt, R. Čurík, M. Ončák, K. Blaum, S. George, J. Göck, M. Grieser, F. Grussie, R. von Hahn, C. Krantz, H. Kreckel, O. Novotný, K. Spruck, A. Wolf: Autodetachment of diatomic carbon anions from long-lived high-rotation quartet states. Phys. Rev. Lett., 133, 183001 (2024). DOI: 10.1103/PhysRevLett.133.183001. Physics Magazine feature
141. Editor's Suggestion: V. C. Schmidt, R. Čurík, M. Ončák, K. Blaum, S. George, J. Göck, M. Grieser, F. Grussie, R. von Hahn, C. Krantz, H. Kreckel, O. Novotný, K. Spruck, A. Wolf: Unimolecular processes in diatomic carbon anions at high rotational excitation. Phys. Rev. A, 110, 042828 (2024). DOI: 10.1103/PhysRevA.110.042828
140. A. Dutta, M. Ončák, F. Izadi, E. Arthur-Baidoo, J. Ameixa, S. Denifl, I. Bald: Plasmon-Driven Chemical Transformation of a Secondary Amide Probed by Surface Enhanced Raman Scattering. Comm. Chem., 7, 188 (2024). DOI: 10.1038/s42004-024-01276-2
139. Y. Liu, M. Ončák, J. Meyer, S. Ard, N. Shuman, A. Viggiano, H. Guo: Intersystem Crossing Control of the Nb+ + CO2 → NbO+ + CO Reaction. J. Phys. Chem. A, 128, 6943-6953 (2024). DOI: 10.1021/acs.jpca.4c04067
138. D. Dinu, M. Ončák, S. Thorwirth, K. Liedl, S. Brünken, S. Schlemmer, P. Jusko: Zero-point-energy driven isotopic exchange of the [H3O]− anion probed by mid-Infrared action spectroscopy. J. Am. Chem. Soc., 146, 21634-21641 (2024). DOI: 10.1021/jacs.4c05543
137. M. Hütter, G. Schöpfer, M. Salzburger, M. K. Beyer, M. Ončák: Master Equation Modeling of Water Dissociation in Small Ionic Water Clusters: Ag+(H2O)n, n = 4–6. RSC Advances, 14, 22185-22194 (2024). DOI: 10.1039/D4RA03518F
136. VIP Very Important Paper: F. Izadi, T. F. M. Luxford, B. Sedmidubská, E. Arthur-Baidoo, J. Kočišek, M. Ončák, S. Denifl: Dissociative Electron Attachment Dynamics of a Promising Cancer Drug Indicates Its Radiosensitizing Potential. Angew. Chem. Int. Ed., 63, e202407469 (2024). DOI: 10.1002/anie.202407469
135. J. Lengyel, M. Ončák, M. K. Beyer: Solvation Effects on the Chemistry of the Gas-Phase O•−(H2O)n and OH−(H2O)n Cluster Ions with Molecular Oxygen and Carbon Dioxide. Int. J. Mass Spectrom., 503, 117279 (2024). DOI: 10.1016/j.ijms.2024.117279
134. D. Jank, M. Ončák, S. Jin, C. van der Linde, M. K. Beyer: Multiconfigurational Character of Repulsive A2Σg+ State Leaves Strong Signature in the Photodissociation Spectrum of Zn2+. J. Am. Chem. Soc., 24, 16385-16388 (2024). DOI: 10.1021/jacs.4c05620
133. L. Ganner, S. Bergmeister, L. Lorenz, M. Ončák, P. Scheier, E. Gruber: Formation of doubly- and triply-charged fullerene dimers in superfluid helium nanodroplets. Phys. Rev. Lett., 133, 023001 (2024). DOI: 10.1103/PhysRevLett.133.023001
132. Y. Liu, M. Ončák, J. Meyer, S. G. Ard, N. S. Shuman, A. A. Viggiano, H. Guo: Multi-State Dynamics and Kinetics of CO2 Activation by Ta+ in the Gas Phase: Insights into Single-Atom Catalysis J. Am. Chem. Soc., 146, 14182-14193 (2024). DOI: 10.1021/jacs.4c03192
131. G. Schöpfer, S. Bergmeister, M. Ončák, I. Stromberg, M. Mahmoodi-Darian, P. Scheier, O. Echt, E. Gruber: Doubly charged dimers and trimers of heavy noble gases. Phys. Chem. Chem. Phys., 26, 11482-11490 (2024). DOI: 10.1039/D4CP00465E
130. M. Salzburger, M. Hütter, C. van der Linde, M. Ončák, M. K. Beyer: Master equation modelling of blackbody infrared radiative dissociation (BIRD) of hydrated peroxycarbonate radical anions. J. Chem. Phys. 160, 134304 (2024). DOI: 10.1063/5.0200253
129. J. C. Hartmann, S. J. Madlener, C. van der Linde, M. Ončák, M. K. Beyer: Magic Cluster Sizes of Cationic and Anionic Sodium Chloride Clusters Explained by Statistical Modeling of the Complete Phase Space. Phys. Chem. Chem. Phys., 26, 10904-10918 (2024). DOI: 10.1039/D4CP00357H
128. M. Meta, M. E. Huber, M. Birk, M. Wedele, M. Ončák, J. Meyer: Dynamics of carbene formation in the reaction of methane with the tantalum cation in the gas phase. Faraday Disc., accepted. DOI: 10.1039/D3FD00171G
127. K. Li, J. Ďurana, B. Kocábková, A. Pysanenko, Y. Yan, M. Ončák, M. Fárník, J. Lengyel: Hydrated Formic Acid Clusters and their Interaction with Electrons. ChemPhysChem, 25, e202400071 (2024). DOI: 10.1002/cphc.202400071
126. HOT Article: M. E. Huber, T. W. R. Lewis, M. Meta, S. G. Ard, Y. Liu, B. C. Sweeny, H. Guo, M. Ončák, N. S. Shuman, J. Meyer: Ta+ and Nb+ + CO2: Intersystem crossing in ion-molecule reactions. Phys. Chem. Chem. Phys., 26, 8670-8680 (2024). DOI: 10.1039/D3CP05549C
125. M. Juanes, S. Jin, R. Saragi, C. van der Linde, A. Ebenbichler, N. Przybilla, M. Ončák, M. K. Beyer: Iron Complexes as Potential Carriers of Diffuse Interstellar Bands: The Photodissociation Spectrum of Fe+(H2O) at Optical Wavelengths. J. Phys. Chem. A, 128, 1306–1312 (2024). DOI: 10.1021/acs.jpca.4c00148
124. B. Kocábková, J. Ďurana, J. Rakovský, A. Pysanenko, J. Fedor, M. Ončák, M. Fárník: Electron-triggered processes in halogenated carboxylates: Dissociation pathways in CF3COCl molecule and its clusters. Phys. Chem. Chem. Phys., 26, 5640-5648 (2024). DOI: 10.1039/D3CP05387C
123. S. Bergmeister, L. Ganner, M. Ončák, E. Gruber: Gas-Phase Electronic Structure of Phthalocyanine Ions: A Study of Symmetry and Solvation Effects. Adv. Sci., 11, 2307816 (2024). DOI: 10.1002/advs.202307816
122. M. Kappe, A. Schiller, E. Gruber, D. Jank, M. Gatt, G. Schöpfer, M. Ončák, A. Ellis, P. Scheier: Spectroscopy of C60+ and C120+ in the mid-infrared. J. Chem. Phys., 159, 204302 (2023). DOI: 10.1063/5.0176407.
121. T. Schwab, E. Muchová, K. Aicher, T. Berger, M. Ončák, O. Diwald: Oxygen Radicals Entrapped between MgO Nanocrystals: Formation, Spectroscopic Fingerprints and Reactivity towards Water. J. Phys. Chem. C, 48, 23332 (2023). DOI: 10.1021/acs.jpcc.3c06091
120. N. K. Bersenkowitsch, S. Madlener, J. Heller, C. van der Linde, M. Ončák, M. K. Beyer: Spectroscopy of Cluster Aerosol Models: IR and UV Spectra of Hydrated Glyoxylate with and without Sea Salt. Env. Science: Atmos., 3, 1396 (2023). DOI: 10.1039/D3EA00039G
119. A. Ayasli, A. Khan, T. Michaelsen, T. Gstir, M. Ončák, R. Wester: Imaging frontside and backside attack in radical ion-molecule reactive scattering. J. Phys. Chem. A, 127, 5565 (2023). DOI: 10.1021/acs.jpca.3c02856
118. M. Meta, M. Huber, T. Michaelsen, A. Ayasli, M. Ončák, R. Wester, J. Meyer: Dynamics of the Oxygen Atom Transfer Reaction between Carbon Dioxide and the Tantalum Cation. J. Phys. Chem. Lett., 14, 5524 (2023). 10.1021/acs.jpclett.3c01078
117. M. G. Münst, E. Barwa, M. Ončák, M. K. Beyer: Proton Transfer Reactions from N2H+ and ArH+ to Small Molecules. Isr. J. Chem., 63, e202300064 (2023). DOI: 10.1002/ijch.202300064
116. M. Saqib, F. Izadi, L. U. Isierhienrhien, M. Ončák, S. Denifl: Decomposition of triazole and 3-nitrotriazole upon low-energy electron attachment. Phys. Chem. Chem. Phys., 25, 13892 (2023). DOI: 10.1039/D3CP01162C
115. M. Salzburger, R. Saragi, F. Wensink, E. Cunningham, M. K. Beyer, J. Bakker, M. Ončák, C. van der Linde: Carbon Dioxide and Water Activation by Niobium Trioxide Anions in the Gas Phase. J. Phys. Chem. A, 127, 3402 (2023). DOI: 10.1021/acs.jpca.3c01394
114. Concept Article: M. Ončák, C.-K. Siu, C. van der Linde, W. K. Tang, M. K. Beyer: Thermally Activated vs. Photochemical Hydrogen Evolution Reactions – a Tale of Three Metals. Chem. Eur. J., 29, e202203590 (2023). DOI: 10.1002/chem.202203590
113. Account & Perspective: C. van der Linde, M. Ončák, E. Cunningham, W. K. Tang, C.-K. Siu, M. K. Beyer: Surface or internal hydration – does it really matter? J. Am. Soc. Mass Spectrom., 34, 337–354 (2023). DOI: 10.1021/jasms.2c00290
112. J. Ameixa, E. Arthur-Baidoo, J. Pereira-da-Silva, M. Ončák, J. C. Ruivo, M. T. do N. Varella, F. Ferreira da Silva, S. Denifl: Parent Anion Radical Formation in Coenzyme Q0: Breaking Ubiquinone Family Rules. Comp. Struct. Biotech. J., 21, 346-353 (2023). DOI: 10.1016/j.csbj.2022.12.011
111. Hot Topic: CO2. J. Lengyel, N. Levin, M. Ončák, K. Jakob, M. Tschurl, U. Heiz: Direct Coupling of Methane and Carbon Dioxide on Tantalum Cluster Cations. Chem. Eur. J., 29, e202203259 (2023). DOI: 10.1002/chem.202203259
110. A. Khan, A. Ayasli, T. Michaelsen, T. Gstir, M. Ončák, R. Wester: Imaging the Atomistic Dynamics of Single Proton Transfer and Combined Hydrogen/Proton Transfer in the O– + CH3I Reaction J. Phys. Chem. A, 126, 9408-9413 (2022). DOI: 10.1021/acs.jpca.2c06887
109. M. Salzburger, M. Ončák, C. van der Linde, M. K. Beyer: A simplified multiple-well approach for the master equation modelling of blackbody infrared radiative dissociation (BIRD) of hydrated carbonate radical anions. J. Am. Chem. Soc., 144, 21485-21493 (2022). DOI: 10.1021/jacs.2c07060.
108. HOT PCCP Article: M. Kappe, A. Schiller, S. A. Krasnokutski, M. Ončák, P. Scheier, E. M. Cunningham: Electronic spectroscopy of cationic adamantane clusters and dehydrogenated adamantane in helium droplets. Phys. Chem. Chem. Phys. 24, 23142-23151 (2022). DOI: 10.1039/D2CP03523E
107. E. Arthur-Baidoo, M. Ončák, S. Denifl. Electron Attachment to Fluorodeoxyglucose: Dissociation Dynamics in a Molecule of Near-Zero Electron Affinity. J. Chem. Phys. 157, 074301 (2022). DOI: 10.1063/5.0101726
106. M. Pritzi, T. F. Pascher, M.-L. Grutza, P. Kurz, M. Ončák, M. K. Beyer. Decomposition of Halogenated Molybdenum Sulfide Dianions [Mo3S7X6]2– (X = Cl, Br, I). J. Am. Soc. Mass Spectrom., 33, 1753–1760 (2022). DOI: 10.1021/jasms.2c00162
105. E. Arthur-Baidoo, G. Schöpfer, M. Ončák, L. Chomicz-Mańka, J. Rak, S. Denifl. Electron Attachment to 5-Fluorouracil: The Role of Hydrogen Fluoride in Dissociation Chemistry. Int. J. Mol. Sci. 23, 8325 (2022). DOI: 10.3390/ijms23158325
104. M. Pritzi, T. F. Pascher, M.-L. Grutza, P. Kurz, M. Ončák, M. K. Beyer. Rearrangement and Decomposition Pathways of Bare and Hydrogenated Molybdenum Oxysulfides in the Gas Phase. Phys. Chem. Chem. Phys., 24, 16576-16585 (2022). DOI: 10.1039/D2CP01189A
103. S. Jin, J. Heller, C. van der Linde, M. Ončák, M. K. Beyer. Towards Detection of FeH+ in the Interstellar Medium: Infrared Multiple Photon Dissociation Spectroscopy of Ar2FeH+. J. Phys. Chem. Lett. 13, 5867–5872 (2022). DOI: 10.1021/acs.jpclett.2c01511
102. S. Kumar, F. Izadi, M. Ončák, P. Limão-Vieira, S. Denifl: Hexachlorobenzene negative ions formation in electron attachment experiments. Phys. Chem. Chem. Phys., 24, 13335-13342 (2022). DOI: 10.1039/D2CP01360F
101. E. Arthur-Baidoo, F. Izadi, C. Guerra, G. Garcia, M. Ončák, S. Denifl: Dynamics of Ring-Cleavage Reactions in Temozolomide Induced by Low-Energy Electron Attachment. Front. Phys., 10, 880689 (2022). DOI: 10.3389/fphy.2022.880689
100. HOT PCCP Article: J. Heller, E. M. Cunningham, J. C. Hartmann, C. van der Linde, M. Ončák, M. K. Beyer: Size-Dependent H and H2 Formation by Infrared Multiple Photon Dissociation Spectroscopy of Hydrated Vanadium Cations, V+(H2O)n, n = 3–51. Phys. Chem. Chem. Phys. 24, 14699-14708 (2022). DOI: 10.1039/D2CP00833E Cover Feature
99. J. Heller, E. Cunningham, C. van der Linde, M. Ončák, M. K. Beyer: Infrared Multiple Photon Dissociation Spectroscopy Confirms Reversible Water Activation in Mn+(H2O)n, n ≤ 8. J. Phys. Chem. Lett., 13, 3269–3275 (2022). DOI: 10.1021/acs.jpclett.2c00394
98. J. Ameixa, E. Arthur-Baidoo, J. Pereira-da-Silva, J. C. Ruivo, M. T. do N. Varella, M. K. Beyer, M. Ončák, F. Ferreira da Silva, S. Denifl: Formation of temporary negative ions and their subsequent fragmentation upon electron attachment to CoQ0 and CoQ0H2. ChemPhysChem, 23, e202100834 (2022). DOI: 10.1002/cphc.202100834. Cover Feature; Cover Profile
97. E. Gruber, S. Kollotzek, S. Bergmeister, F. Zappa, M. Ončák, P. Scheier, O. Echt: Phenanthrene: Establishing lower and upper bounds to the binding energy of a very weakly bound anion. Phys. Chem. Chem. Phys., 24, 5138-5143 (2022). DOI: 10.1039/d1cp04755h.
96. Hot Paper: J. Heller, T. F. Pascher, C. van der Linde, M. Ončák, M. K. Beyer: Photochemical Hydrogen Evolution at Metal Centers Probed with Hydrated Aluminum Cations, Al+(H2O)n, n = 1–10, Chem. Eur. J., 27, 16367-16376 (2021). DOI: 10.1002/chem.202103289
95. P. Ziegler, A. Pelc, E. Arthur-Baidoo, J. Ameixa, M. Ončák, S. Denifl: Negative ion formation and fragmentation upon dissociative electron attachment to the nicotinamide molecule, RSC Advances, 11, 32425-32434 (2021). DOI: 10.1039/D1RA06083J
94. Emerging Investigators Themed Issue: J. Heller, T. F. Pascher, D. Muß, C. van der Linde, M. K. Beyer, M. Ončák: Photochemistry and UV/Vis Spectroscopy of Hydrated Vanadium Cations, V+(H2O)n, n = 1–41, a Model System for Photochemical Hydrogen Evolution. Phys. Chem. Chem. Phys., 23, 22251-22262 (2021). DOI: 10.1039/D1CP02382A
93. E. M. Cunningham, T. Taxer, J. Heller, M. Ončák, C. van der Linde, M. K. Beyer: Asymmetric solvation of the zinc dimer cation revealed by infrared multiple photon dissociation spectroscopy of Zn2+(H2O)n (n = 1–20). Int. J. Mol. Sci., 22, 6026 (2021). DOI: 10.3390/ijms22116026
92. M. Ončák, R. Ćosić, R. Kalus: Modeling of photoabsorption spectra of small helium cluster cations through ab initio and semi-empirical approaches. A comparative study. Chem. Phys, 549, 111261 (2021). DOI: 10.1016/j.chemphys.2021.111261
91. VIP Very Important Paper: J. Heller, W. K. Tang, E. M. Cunningham, E. G. Demissie, C. van der Linde, W. K. Lam, M. Ončák, C.-K. Siu, M. K. Beyer: Getting Ready for the Hydrogen Evolution Reaction: The Infrared Spectrum of Hydrated Aluminum Hydride-Hydroxide HAlOH+(H2O)n-1, n = 9-14. Angew. Chem. 133, 16994-16999 (2021); DOI: 10.1002/ange.202105166 ; Angew. Chem. Int. Ed. 60, 16858-16863 (2021); DOI: 10.1002/anie.202105166
90. S. Albertini, S. Bergmeister, F. Laimer, P. Martini, E. Gruber, F. Zappa, M. Ončák, P. Scheier, O. Echt: SF6+: Stabilizing Transient Ions in Helium Nanodroplets. J. Phys. Chem. Lett., 12, 4112−4117 (2021), DOI: 10.1021/acs.jpclett.1c01024. Short note on c&en.
89. K. Geistlinger, F. Dahlmann, T. Michaelsen, M. Ončák, E. Endres, R. Wester: Multiple helium tagging and OH vibrational spectroscopy of cold protonated glycine ions. J. Mol. Spec., 379 , 111479 (2021), DOI: 10.1016/j.jms.2021.111479.
88. Hot Paper: M. S. Sammon, M. Biewend, P. Michael, S. Schirra M. Ončák, W. H. Binder, M. K. Beyer: Activation of a Copper Biscarbene Mechano-Catalyst Using Single-Molecule Force Spectroscopy Supported by Quantum Chemical Calculations. Chem. Eur. J. 27, 8723-8729 (2021). DOI: 10.1002/chem.202100555 ; Cover Feature DOI: 10.1002/chem.202101683
87. T. F. Pascher, M. Ončák, C. van der Linde, M. K. Beyer: Spectroscopy and Photochemistry of Copper Nitrate Clusters. Phys. Chem. Chem. Phys., 23, 9911-9920 (2021). DOI: 10.1039/D1CP00629K
86. E. Arthur-Baidoo, J. Ameixa, M. Ončák, S. Denifl: Ring-Selective Fragmentation in the Tirapazamine Molecule upon
Low-Energy Electron Attachment. Int. J. Mol. Sci., 22, 3159 (2021). DOI: 10.3390/ijms22063159
85. A. Baloglou, M. Pritzi, T. F. Pascher, J. C. Hartmann, M.-L. Grutza, M. Ončák, P. Kurz, M. K. Beyer: Proton Transfer Reactivity of Molybdenum Oxysulfide Dianions [Mo2O2S6]2– and [Mo2O2S5]2–: The Role of Coulomb Barriers. Int. J. Mass Spec., 464, 116558 (2021). DOI: 10.1016/j.ijms.2021.116558
84. S. Albertini, P. Martini, A. Schiller, H. Schöbel, E. Ghavidel, M. Ončák, O. Echt, P. Scheier: Electronic transitions in Rb2+ dimers solvated in helium. Theor. Chem. Acc., 140, 29 (2021). DOI: 10.1007/s00214-021-02728-x
83. A. Pysanenko, K. Grygoryeva, J. Kočišek, R. Kumar T. P., J. Fedor, M. Ončák, M. Fárník: Stability of Pyruvic Acid Clusters upon Slow Electron Attachment. Phys. Chem. Chem. Phys., 23, 4317-4325 (2021). DOI: 10.1039/D0CP06464E
82. M. Münst, M. Ončák, M. K. Beyer, C. van der Linde: Infrared Spectroscopy of CO3●-(H2O)1,2 and CO4●-(H2O)1,2. J. Chem. Phys., 154, 084301 (2021). DOI: 10.1063/5.0038280
81. E. M. Cunningham, T. Taxer, J. Heller, M. Ončák, C. van der Linde, M. K. Beyer: Microsolvation of Zn Cations: Infrared Multiple Photon Dissociation Spectroscopy of Zn+(H2O)n (n = 2–35). Phys. Chem. Chem. Phys., 23, 3627-3636 (2021). DOI: 10.1039/D0CP06112C.
80. B. Bastian, T. Michaelsen, M. Ončák, J. Meyer, R. Wester: Suppression of low product kinetic energies in reactions of FHO- and Cl-(H2O) with CH3I, Int. J. Mass. Spectrom., 462, 116526 (2021). DOI: 10.1016/j.ijms.2021.116526.
79. VIP Very Important Paper: A. Baloglou, M. Plattner, M. Ončák, M.-L. Grutza, P. Kurz, M. K. Beyer: [Mo3S13]2– as a Model System for Hydrogen Evolution Catalysis by MoSx: Probing Protonation Sites in the Gas Phase by Infrared Multiple Photon Dissociation Spectroscopy. Angew. Chem. Int. Ed., 60, 5074-5077 (2021). DOI: 10.1002/anie.202014449; 10.1002/ange.202014449
78. F. Hechenberger, S. Kollotzek, L. Ballauf, F. Duensing, M. Ončák, Z. Herman, P. Scheier: Formation of HCN+ in collisions of N+ and N2+ with a self-assembled propanethiol surface on gold. Phys. Chem. Chem. Phys., 23, 7777-7782 (2021). DOI: 10.1039/D0CP04164E
77. M. Saqib, E. Arthur-Baidoo, M. Ončák, S. Denifl: Electron Attachment Studies with the Potential Radiosensitizer 2-Nitrofuran. Int. J. Mol. Sci., 21, 8906 (2020). DOI: 10.3390/ijms21238906
76. T. F. Pascher, M. Ončák, C. van der Linde, M. K. Beyer: Infrared Multiple Photon Dissociation Spectroscopy of Anionic Copper Formate Clusters. J. Chem. Phys., 153, 184301 (2020). DOI: 10.1063/5.0030034
75. F. J. Wensink, M. G. Münst, J. Heller, M. Ončák, J. M. Bakker, C. van der Linde: IR multiple photon dissociation spectroscopy of MO2+ (M = V, Nb, Ta). J. Chem. Phys, 153, 171101 (2020). DOI: 10.1063/5.0024675
74. L. Tiefenthaler, M. Ončák, S. Kollotzek, J. Kočišek, P. Scheier: Dissociation of Valine Cluster Cations. J. Phys. Chem. A, 124, 8439-8445 (2020). DOI: acs.jpca.0c07208
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., 26, 16049-16058 (2020). 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)0,1. Theor. 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., 59, 17177-17182 (2020). 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. Editor's Pick: 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, 19201-19208 (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, 8221-8227, (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, Young Chemist Issue: 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
Editorial Materials:
1. M. Ahmed et al.: Controlling internal degrees: general discussion. Faraday Discuss. 217, 138-171 (2019). DOI: 10.1039/C9FD90032B