Prof. Dr. Helmut Schwarz - Publications

2416 Reassessment of the Mechanisms of Thermal C−H Bond Activation of Methane by Cationic Magnesium Oxides: A Critical Evaluation of the Suitability of Different Density Functionals H. Schwarz, T. Tian, X. Sun, T. Weiske, Y. Cai, C. Geng, J. Li ChemPhysChem 2019, 20, 1812–1821, 10.1002/cphc.201900508

2380 Thermal Activation of CH4and H2as Mediated by the Ruthenium Oxide Cluster Ions [RuOx]+(x=1-3): On the Influence of Oxidation States X. Sun, S. Zhou, L. Yue, M. Schlangen, H. Schwarz Chemistry - A European Journal 2019, 25, 3550–3559, 10.1002/chem.201806187

2379 On the Remarkable Role of the Nitrogen Ligand in the Gas-Phase Redox Reaction of the N2O/CO Couple Catalyzed by [NbN]+ X. Sun, S. Zhou, L. Yue, C. Guo, M. Schlangen, H. Schwarz Angewandte Chemie International Edition 2019, 58, 3635–3639, 10.1002/anie.201814460

2378 Tuning the Reactivities of the Heteronuclear [AlnV3−nO7−n]+(n=1, 2) Cluster Oxides towards Methane by Varying the Composition of the Metal Centers S. Zhou, X. Sun, L. Yue, M. Schlangen, H. Schwarz Chemistry - A European Journal 2019, 25, 2967–2971, 10.1002/chem.201805908

2377 Intermediates of N-Heterocyclic Carbene (NHC) Dimerization Probed in the Gas Phase by Ion Mobility Mass Spectrometry: C−H⋅⋅⋅:C Hydrogen Bonding Versus Covalent Dimer Formation M. Paul, E. Detmar, M. Schlangen, M. Breugst, J. M. Neudörfl, H. Schwarz, A. Berkessel, M. Schäfer Chemistry - A European Journal 2019, 25, 2511–2518, 10.1002/chem.201803641

2376 Identification of Active Sites and Structural Characterization of Reactive Ionic Intermediates by Cryogenic Ion Trap Vibrational Spectroscopy H. Schwarz, K. R. Asmis Chemistry - A European Journal 2019, 25, 2112–2126, 10.1002/chem.201805836

2375 Intrinsic Reactivity of Diatomic 3d Transition-Metal Carbides in the Thermal Activation of Methane: Striking Electronic Structure Effects C. Geng, T. Weiske, J. Li, S. Shaik, H. Schwarz Journal of the American Chemical Society 2019, 141, 599–610, 10.1021/jacs.8b11739

2374 Selektive Übertragung eines Stickstoffatoms im [CeON]+/CH4-System durch hocheffizientes Intersystem Crossing S. Zhou, X. Sun, L. Yue, C. Guo, M. Schlangen, H. Schwarz Angewandte Chemie 2018, 130, 16129–16133, 10.1002/ange.201809583

2373 Selective Nitrogen-Atom Transfer Driven by a Highly Efficient Intersystem Crossing in the [CeON]+/CH4System S. Zhou, X. Sun, L. Yue, C. Guo, M. Schlangen, H. Schwarz Angewandte Chemie International Edition 2018, 57, 15902–15906, 10.1002/anie.201809583

2372 Ta2+-mediated ammonia synthesis from N2and H2at ambient temperature C. Geng, J. Li, T. Weiske, H. Schwarz Proceedings of the National Academy of Sciences 2018, 115, 11680–11687, 10.1073/pnas.1814610115

2369 Oriented external electric fields as mimics for probing the role of metal ions and ligands in the thermal gas-phase activation of methane C. Geng, J. Li, M. Schlangen, S. Shaik, X. Sun, N. Wang, T. Weiske, L. Yue, S. Zhou, H. Schwarz Dalton Transactions 2018, 47, 15271–15277, 10.1039/c8dt03048k

2368 Elektrisches Feld als “smarter” Ligandenersatz zur kontrollierten thermischen Aktivierung von Methan und molekularem Wasserstoff L. Yue, N. Wang, S. Zhou, X. Sun, M. Schlangen, H. Schwarz Angewandte Chemie 2018, 130, 14845–14849, 10.1002/ange.201805718

2367 The Electric Field as a “Smart” Ligand in Controlling the Thermal Activation of Methane and Molecular Hydrogen L. Yue, N. Wang, S. Zhou, X. Sun, M. Schlangen, H. Schwarz Angewandte Chemie International Edition 2018, 57, 14635–14639, 10.1002/anie.201805718

2361 Selective C−O Coupling Hidden in the Thermal Reaction of [Al2CuO5]+with Methane S. Zhou, X. Sun, L. Yue, M. Schlangen, H. Schwarz Chemistry - A European Journal 2018, 24, 14649–14653, 10.1002/chem.201804059

2302 Thermal O–H Bond Activation of Water As Mediated by Heteronuclear [Al2Mg2O5]•+: Evidence for Oxygen-Atom Scrambling C. Geng, J. Li, T. Weiske, H. Schwarz Journal of the American Chemical Society 2018, 140, 9275–9281, 10.1021/jacs.8b05618

2297 Experimentelle Bestimmung des aktiven Zentrums im heteronuklearen Redox-System [AlVOx]+./CO/N2O (x=3, 4) durch Gasphasen-Infrarotspektroskopie S. Debnath, H. Knorke, W. Schöllkopf, S. Zhou, K. R. Asmis, H. Schwarz Angewandte Chemie 2018, 130, 7570–7574, 10.1002/ange.201804056

2296 Experimental Identification of the Active Site in the Heteronuclear Redox Couples [AlVOx]+./CO/N2O (x=3, 4) by Gas-Phase IR Spectroscopy S. Debnath, H. Knorke, W. Schöllkopf, S. Zhou, K. R. Asmis, H. Schwarz Angewandte Chemie International Edition 2018, 57, 7448–7452, 10.1002/anie.201804056

2295 Über die Ursachen der deutlich unterschiedlichen Reaktivität von Ruthenium unter den [MO]+/CH4-Systemen (M=Fe, Ru, Os) X. Sun, S. Zhou, L. Yue, M. Schlangen, H. Schwarz Angewandte Chemie 2018, 130, 6039–6043, 10.1002/ange.201800173

2294 On the Origin of the Distinctly Different Reactivity of Ruthenium in [MO]+/CH4Systems (M=Fe, Ru, Os) X. Sun, S. Zhou, L. Yue, M. Schlangen, H. Schwarz Angewandte Chemie International Edition 2018, 57, 5934–5937, 10.1002/anie.201800173

2256 Direkte Umwandlung von Methan zu protoniertem Formaldehyd bei Raumtemperatur in der Gasphase: Zur Rolle von Quecksilber unter den Oxidkationen der Zinktriade L. Yue, S. Zhou, X. Sun, M. Schlangen, H. Schwarz Angewandte Chemie 2018, 130, 3306–3310, 10.1002/ange.201712405

2255 Direct Room-Temperature Conversion of Methane into Protonated Formaldehyde: The Gas-Phase Chemistry of Mercury among the Zinc Triad Oxide Cations L. Yue, S. Zhou, X. Sun, M. Schlangen, H. Schwarz Angewandte Chemie International Edition 2018, 57, 3251–3255, 10.1002/anie.201712405

2198 Ligand Effects on the Reactivity of [CoX]+ (X = CN, F, Cl, Br, O, OH) Towards CO2: Gas-Phase Generation of the Elusive Cyanoformate by [Co(CN)]+ and [Fe(CN)]+ M. Firouzbakht, N. J. Rijs, M. Schlangen, M. Kaupp, H. Schwarz Topics in Catalysis 2018, 61, 575–584, 10.1007/s11244-018-0903-8

2148 Spin-Selective, Competitive Hydrogen-Atom Transfer versus CH2O-Generation from the CH4/[ReO4]+Couple at Ambient Conditions S. Zhou, M. Schlangen, H. Schwarz Chemistry - A European Journal 2017, 23, 17469–17472, 10.1002/chem.201704892

2147 Electronic Effects on Room-Temperature, Gas-Phase C–H Bond Activations by Cluster Oxides and Metal Carbides: The Methane Challenge H. Schwarz, S. Shaik, J. Li Journal of the American Chemical Society 2017, 139, 17201–17212, 10.1021/jacs.7b10139

2145 Elektronische Ursache konkurrierender Mechanismen bei der thermischen Aktivierung von Methan durch das heteronukleare Clusteroxid [Al2ZnO4].+ S. Zhou, L. Yue, M. Schlangen, H. Schwarz Angewandte Chemie 2017, 129, 14486–14990, 10.1002/ange.201704979

2144 Electronic Origin of the Competitive Mechanisms in the Thermal Activation of Methane by the Heteronuclear Cluster Oxide [Al2ZnO4].+ S. Zhou, L. Yue, M. Schlangen, H. Schwarz Angewandte Chemie International Edition 2017, 56, 14297–14300, 10.1002/anie.201704979

2143 Ursachen der unterschiedlichen Reaktivität von [AlCeOx]+(x=2-4) gegenüber Methan in Abhängigkeit vom Sauerstoffgehalt S. Zhou, J. Li, M. Schlangen, H. Schwarz Angewandte Chemie 2017, 129, 424–428, 10.1002/ange.201610424

2142 On the Electronic Origin of Remarkable Ligand Effects on the Reactivities of [NiL]+Complexes (L=C6H5, C5H4N, CN) towards Methane S. Zhou, M. Firouzbakht, M. Schlangen, M. Kaupp, H. Schwarz Chemistry - A European Journal 2017, 23, 14430–14433, 10.1002/chem.201703767

2141 Ménage-à-trois: single-atom catalysis, mass spectrometry, and computational chemistry H. Schwarz Catal. Sci. Technol. 2017, 7, 43–4314, 10.1039/c6cy02658c

2139 Metal-Dependent Strengthening and Weakening of M−H and M−C Bonds by an Oxo Ligand: Thermal Gas-Phase Activation of Methane by [OMH]+and [MH]+(M=Mo, Ti) M. Firouzbakht, S. Zhou, P. González-Navarrete, M. Schlangen, M. Kaupp, H. Schwarz Chemistry - A European Journal 2017, 23, 12346–12352, 10.1002/chem.201701615

2134 Control of Product Distribution and Mechanism by Ligation and Electric Field in the Thermal Activation of Methane L. Yue, J. Li, S. Zhou, X. Sun, M. Schlangen, S. Shaik, H. Schwarz Angewandte Chemie International Edition 2017, 56, 10219–10223, 10.1002/anie.201703485

2133 Steuerung der Produktverteilung und der Mechanismen der thermischen Aktivierung von Methan durch Ligandeneffekte und elektrische Felder L. Yue, J. Li, S. Zhou, X. Sun, M. Schlangen, S. Shaik, H. Schwarz Angewandte Chemie 2017, 129, 10353–10357, 10.1002/ange.201703485

2132 Metallfreier, durch [Si2Ox].+(x=2-5) katalysierter Sauerstofftransfer im N2O/CO-Redoxpaar bei Raumtemperatur X. Sun, S. Zhou, L. Yue, M. Schlangen, H. Schwarz Angewandte Chemie 2017, 129, 10122–10126, 10.1002/ange.201703453

2131 Metal-Free, Room-Temperature Oxygen-Atom Transfer in the N2O/CO Redox Couple as Catalyzed by [Si2Ox].+(x=2-5) X. Sun, S. Zhou, L. Yue, M. Schlangen, H. Schwarz Angewandte Chemie International Edition 2017, 56, 9990–9993, 10.1002/anie.201703453

2118 Sequential Gas-Phase Activation of Carbon Dioxide and Methane by [Re(CO)2]+: The Sequence of Events Matters! S. Zhou, J. Li, M. Firouzbakht, M. Schlangen, H. Schwarz Journal of the American Chemical Society 2017, 139, 6169–6176, 10.1021/jacs.7b01255

2112 Tuning the oxidative power of free iron–sulfur clusters S. M. Lang, S. Zhou, H. Schwarz Phys. Chem. Chem. Phys. 2017, 19, 8055–8060, 10.1039/c7cp00023e

2110 On the Origin of Reactivity Enhancement/Suppression upon Sequential Ligation: [Re(CO)x]+/CH4(x=0-3) Couples S. Zhou, J. Li, M. Schlangen, H. Schwarz Angewandte Chemie 2017, 129, 2997–3000, 10.1002/ange.201611826

2109 On the Origin of Reactivity Enhancement/Suppression upon Sequential Ligation: [Re(CO)x]+/CH4(x=0-3) Couples S. Zhou, J. Li, M. Schlangen, H. Schwarz Angewandte Chemie International Edition 2017, 56, 2951–2954, 10.1002/anie.201611826

2095 Gas-phase reactions of cationic molybdenum and tungsten monoxide with ethanol: a combined experimental/computational exercise P. González-Navarrete, M. Schlangen, H. Schwarz Structural Chemistry 2016, 28, 403–413, 10.1007/s11224-016-0862-2

2067 Thermal Methane Activation by the Metal-Free Cluster Cation [Si2O4].+ X. Sun, S. Zhou, M. Schlangen, H. Schwarz Chemistry - A European Journal 2017, 23, 1498–1501, 10.1002/chem.201605496

2057 Metal-mediated activation of carbon dioxide in the gas phase: Mechanistic insight derived from a combined experimental/computational approach H. Schwarz Coordination Chemistry Reviews 2017, 334, 112–123, 10.1016/j.ccr.2016.03.009

2056 Electrostatic and Charge-Induced Methane Activation by a Concerted Double C–H Bond Insertion C. Geng, J. Li, T. Weiske, M. Schlangen, S. Shaik, H. Schwarz Journal of the American Chemical Society 2017, 139, 1684–1689, 10.1021/jacs.6b12514

2054 Striking Doping Effects on Thermal Methane Activation Mediated by the Heteronuclear Metal Oxides [XAlO4].+(X=V, Nb, and Ta) X. N. Wu, J. Li, M. Schlangen, S. Zhou, P. González-Navarrete, H. Schwarz Chemistry - A European Journal 2017, 23, 788–792, 10.1002/chem.201605226

1970 Zum Ursprung der effizienten thermischen Chemisorption von Methan durch den heteronuklearen Metalloxidcluster [Al2TaO5]+ S. Zhou, J. Li, M. Schlangen, H. Schwarz Angewandte Chemie 2016, 128, 15090–15094, 10.1002/ange.201608999

1969 Thermische Dehydrierung von Methan durch [ReN]+ S. Zhou, J. Li, M. Schlangen, H. Schwarz Angewandte Chemie 2016, 128, 15085–15089, 10.1002/ange.201607960

1968 Thermische Methanaktivierung durch [Si2O5].+und [Si2O5H2].+: Reaktivitätssteigerung durch Hydrierung X. Sun, S. Zhou, M. Schlangen, H. Schwarz Angewandte Chemie 2016, 128, 13540–13543, 10.1002/ange.201607864

1967 Hidden Hydride Transfer as a Decisive Mechanistic Step in the Reactions of the Unligated Gold Carbide [AuC]+with Methane under Ambient Conditions J. Li, S. Zhou, M. Schlangen, T. Weiske, H. Schwarz Angewandte Chemie 2016, 128, 13266–13269, 10.1002/ange.201606707

1966 Effiziente, thermische Aktivierung von Methan durch TaN+unter C-N-Kupplung S. Zhou, J. Li, M. Schlangen, H. Schwarz Angewandte Chemie 2016, 128, 11851–11855, 10.1002/ange.201606259

1965 Die Chemie von [AuO]+/CH4in der Gasphase: Selektive Sauerstoffatom-Übertragung auf, statt Wasserstoffatom-Abstraktion von Methan S. Zhou, J. Li, M. Schlangen, H. Schwarz Angewandte Chemie 2016, 128, 11036–11039, 10.1002/ange.201605259

1964 Spinabhängige, thermische Aktivierung von Methan durch den geschlossenschaligen Cluster [TaO3]+ S. Zhou, J. Li, M. Schlangen, H. Schwarz Angewandte Chemie 2016, 128, 7374–7377, 10.1002/ange.201601965

1963 Thermal Activation of Methane by [HfO].+and [XHfO]+(X=F, Cl, Br, I) and the Origin of a Remarkable Ligand Effect S. Zhou, J. Li, M. Schlangen, H. Schwarz Angewandte Chemie International Edition 2016, 55, 7685–7688, 10.1002/anie.201602312

1961 Unexpected Mechanistic Variants in the Thermal Gas-Phase Activation of Methane H. Schwarz, P. González-Navarrete, J. Li, M. Schlangen, X. Sun, T. Weiske, S. Zhou Organometallics 2017, 36, 8–17, 10.1021/acs.organomet.6b00372

1958 On the Origin of the Remarkably Variable Reactivities of [AlCeOx]+(x=2-4) towards Methane as a Function of Oxygen Content S. Zhou, J. Li, M. Schlangen, H. Schwarz Angewandte Chemie International Edition 2017, 56, 413–416, 10.1002/anie.201610424

1950 Thermal Dehydrogenation of Methane by [ReN]+ S. Zhou, J. Li, M. Schlangen, H. Schwarz Angewandte Chemie International Edition 2016, 55, 14863–14866, 10.1002/anie.201607960

1949 The Origin of the Efficient, Thermal Chemisorption of Methane by the Heteronuclear Metal-Oxide Cluster [Al2TaO5]+ S. Zhou, J. Li, M. Schlangen, H. Schwarz Angewandte Chemie International Edition 2016, 55, 14867–14871, 10.1002/anie.201608999

1948 Mechanistic aspects of CO2 activation mediated by phenyl yttrium cation: A combined experimental/theoretical study M. Firouzbakht, M. Schlangen, M. Kaupp, H. Schwarz Journal of Catalysis 2016, 343, 68–74, 10.1016/j.jcat.2015.09.012

1943 Thermal Methane Activation by [Si2O5].+and [Si2O5H2].+: Reactivity Enhancement by Hydrogenation X. Sun, S. Zhou, M. Schlangen, H. Schwarz Angewandte Chemie International Edition 2016, 55, 13345–13348, 10.1002/anie.201607864

1942 Hidden Hydride Transfer as a Decisive Mechanistic Step in the Reactions of the Unligated Gold Carbide [AuC]+with Methane under Ambient Conditions J. Li, S. Zhou, M. Schlangen, T. Weiske, H. Schwarz Angewandte Chemie International Edition 2016, 55, 13072–13075, 10.1002/anie.201606707

1936 Efficient Room-Temperature Methane Activation by the Closed-Shell, Metal-Free Cluster [OSiOH]+: A Novel Mechanistic Variant X. Sun, S. Zhou, M. Schlangen, H. Schwarz Chemistry - A European Journal 2016, 22, 14257–14263, 10.1002/chem.201601981

1935 Mechanistic Variants in Gas-Phase Metal-Oxide Mediated Activation of Methane at Ambient Conditions J. Li, S. Zhou, J. Zhang, M. Schlangen, D. Usharani, S. Shaik, H. Schwarz Journal of the American Chemical Society 2016, 138, 11368–11377, 10.1021/jacs.6b07246

1934 Efficient Room-Temperature Activation of Methane by TaN+under C−N Coupling S. Zhou, J. Li, M. Schlangen, H. Schwarz Angewandte Chemie International Edition 2016, 55, 11678–11681, 10.1002/anie.201606259

1933 The Unique Gas-Phase Chemistry of the [AuO]+/CH4Couple: Selective Oxygen-Atom Transfer to, Rather than Hydrogen-Atom Abstraction from, Methane S. Zhou, J. Li, M. Schlangen, H. Schwarz Angewandte Chemie International Edition 2016, 55, 10877–10880, 10.1002/anie.201605259

1927 On the Activation of Methane and Carbon Dioxide by [HTaO]+and [TaOH]+in the Gas Phase: A Mechanistic Study M. Firouzbakht, N. J. Rijs, P. González-Navarrete, M. Schlangen, M. Kaupp, H. Schwarz Chemistry - A European Journal 2016, 22, 10581–10589, 10.1002/chem.201601339

1920 Electronic Origins of the Variable Efficiency of Room-Temperature Methane Activation by Homo- and Heteronuclear Cluster Oxide Cations [XYO2]+(X, Y = Al, Si, Mg): Competition between Proton-Coupled Electron Transfer and Hydrogen-Atom Transfer J. Li, S. Zhou, J. Zhang, M. Schlangen, T. Weiske, D. Usharani, S. Shaik, H. Schwarz Journal of the American Chemical Society 2016, 138, 7973–7981, 10.1021/jacs.6b03798

1918 Thermische Aktivierung von Methan durch [HfO].+und [XHfO]+(X=F, Cl, Br, I): ein außergewöhnlicher Ligandeneffekt und dessen Ursache S. Zhou, J. Li, M. Schlangen, H. Schwarz Angewandte Chemie 2016, 128, 7816–7819, 10.1002/ange.201602312

1917 Spin-Selective Thermal Activation of Methane by Closed-Shell [TaO3]+ S. Zhou, J. Li, M. Schlangen, H. Schwarz Angewandte Chemie International Edition 2016, 55, 7257–7260, 10.1002/anie.201601965

1913 Differences and Commonalities in the Gas-Phase Reactions of Closed-Shell Metal Dioxide Clusters [MO2]+(M=V, Nb, and Ta) with Methane S. Zhou, J. Li, M. Schlangen, H. Schwarz Chemistry - A European Journal 2016, 22, 7225–7228, 10.1002/chem.201600498

1846 Bond Activation by Metal–Carbene Complexes in the Gas Phase S. Zhou, J. Li, M. Schlangen, H. Schwarz Accounts of Chemical Research 2016, 49, 494–502, 10.1021/acs.accounts.5b00023

1845 Mechanistic Aspects of the Holmium-mediated, Reciprocal Hydrogen/Sulfur Exchange in the Gas Phase: C₆H₅CH₃ + CH₂S → C₆H₅CHS + CH₄ S. Zhou, J. Li, M. Schlangen, H. Schwarz Chemistry - A European Journal 2016, 22, 4336–4339, 10.1002/chem.201600061

1840 On the Origin of Room-temperature, Au+-mediated Coupling of a Methylene Ligand with H2. Implications for the Mechanism of Methane Dehydrogenation. J. Li , S. Zhou, M. Schlangen, T. Weiske, H. Schwarz ChemistrySelect 2016, 1, 444–447, 10.1002/slct.201600073

1839 Penetrating the Elusive Mechanism of Copper-Mediated Fluoromethylation in the Presence of Oxygen through the Gas-Phase Reactivity of Well-Defined [LCuO]+Complexes with Fluoromethanes (CH(4–n)Fn,n= 1–3) N. J. Rijs, P. González-Navarrete, M. Schlangen, H. Schwarz Journal of the American Chemical Society 2016, 138, 3125–3135, 10.1021/jacs.5b12972

1792 Breaking and Making of Carbon-Carbon Bonds by Lanthanides and Third-Row Transition Metals S. Zhou, J. Li, M. Schlangen, H. Schwarz Chemistry - A European Journal 2016, 22, 3073–3076, 10.1002/chem.201504571

1791 Unravelling Mechanistic Aspects of the Gas-Phase Ethanol Conversion: An Experimental and Computational Study on the Thermal Reactions of MO2+(M=Mo, W) with Ethanol P. González-Navarrete, M. Schlangen, X. N. Wu, H. Schwarz Chemistry - A European Journal 2016, 22, 3077–3083, 10.1002/chem.201504929

1786 Zur Rolle der Elektronenstruktur des heteronuklearen Oxidclusters [Ga2Mg2O5].+ in der thermischen Aktivierung von Methan und Ethan: ein ungewöhnlicher Dotierungseffekt J. Li, X. N. Wu, M. Schlangen, S. Zhou, P. González-Navarrete, S. Tang, H. Schwarz Angewandte Chemie 2015, 127, 5163–5167, 10.1002/ange.201412441

1785 Zum Mechanismus des Wasserstoffatomtransfers von Wasser auf den heteronuklearen Oxidcluster [Ga2Mg2O5] .+ : außergewöhnliche Effekte der elektronischen Struktur J. Li, S. Zhou, X. N. Wu, S. Tang, M. Schlangen, H. Schwarz Angewandte Chemie 2015, 127, 12028–12032, 10.1002/ange.201505336

1784 Deutlich unterschiedliche Mechanismen der Wasserstoffatomabstraktion aus Methan und Wasser durch den heteronuklearen Oxidcluster [Ga2MgO4] .+ J. Li, X. N. Wu, S. Zhou, S. Tang, M. Schlangen, H. Schwarz Angewandte Chemie 2015, 127, 12472–12477, 10.1002/ange.201503763

1771 Efficient Room-Temperature, Au+ -Mediated Coupling of a Carbene Ligand with Methane To Generate C2Hx (x=4, 6) S. Zhou, J. Li, X. N. Wu, M. Schlangen, H. Schwarz Angewandte Chemie International Edition 2016, 55, 441–444, 10.1002/anie.201509320

1770 Au+ -vermittelte, effiziente Kupplung eines Carbenliganden mit Methan: Bildung von C2Hx (x=4, 6) bei Raumtemperatur S. Zhou, J. Li, X. N. Wu, M. Schlangen, H. Schwarz Angewandte Chemie 2016, 128, 452–455, 10.1002/ange.201509320

1715 Correction to Effect of Adduct Formation with Molecular Nitrogen on the Measured Collisional Cross Sections of Transition Metal-1,10- Phenanthroline Complexes in Traveling Wave Ion-Mobility Spectrometry: N Is Not Always an “Inert” Buffer Gas N. J. Rijs, T. Weiske, M. Schlangen, H. Schwarz Analytical Chemistry 2015, 87, 11601–11601, 10.1021/acs.analchem.5b03989

1701 Distinct Mechanistic Differences in the Hydrogen-Atom Transfer from Methane and Water by the Heteronuclear Oxide Cluster [Ga2MgO4] J. Li, X. N. Wu, S. Zhou, S. Tang, M. Schlangen, H. Schwarz Angewandte Chemie International Edition 2015, 54, 12298–12302, 10.1002/anie.201503763

1700 Effect of Adduct Formation with Molecular Nitrogen on the Measured Collisional Cross Sections of Transition Metal–1,10-Phenanthroline Complexes in Traveling Wave Ion-Mobility Spectrometry: N Is Not Always an “Inert” Buffer Gas N. J. Rijs, T. Weiske, M. Schlangen, H. Schwarz Analytical Chemistry 2015, 87, 9769–9776, 10.1021/acs.analchem.5b01985

1694 “Stripping” the Carbon Atom of Methyl Halide by a Cationic Holmium Complex: A Gas-Phase Study S. Zhou, M. Schlangen, J. Li, X. N. Wu, H. Schwarz Chemistry - A European Journal 2015, 21, 14305–14308, 10.1002/chem.201502183

1693 On the Mechanisms of Hydrogen-Atom Transfer from Water to the Heteronuclear Oxide Cluster [Ga2Mg2O5].+ : Remarkable Electronic Structure Effects J. Li, S. Zhou, X. N. Wu, S. Tang, M. Schlangen, H. Schwarz Angewandte Chemie International Edition 2015, 54, 11861–11864, 10.1002/anie.201505336

1688 Doping Effects in Cluster-Mediated Bond Activation H. Schwarz Angewandte Chemie International Edition 2015, 54, 10090–10100, 10.1002/anie.201500649

1687 Carbon-Atom Extrusion from Halobenzenes and Its Coupling with a Methylene Ligand to Form Acetylene S. Zhou, M. Schlangen, J. Li, X. N. Wu, H. Schwarz Chemistry - A European Journal 2015, 21, 9629–9631, 10.1002/chem.201501871

1678 Ligand-Controlled CO2 Activation Mediated by Cationic Titanium Hydride Complexes, [LTiH]+ ( L= Cp2 , O) S. Y. Tang, N. J. Rijs, J. Li, M. Schlangen, H. Schwarz Chemistry - A European Journal 2015, 21, 8483–8490, 10.1002/chem.201500722

1677 Thermal hydrogen-atom transfer from methane: A mechanistic exercise H. Schwarz Chemical Physics Letters 2015, 629, 91–101, 10.1016/j.cplett.2015.04.022

1653 Activation of Methane and Carbon Dioxide Mediated by Transition-Metal Doped Magnesium Oxide Clusters [MMgO]+/o/- (M=Sc-Zn) J. Li, P. González-Navarrete, M. Schlangen, H. Schwarz Chemistry - A European Journal 2015, 21, 7780–7789, 10.1002/chem.201500715

1644 On the Role of the Electronic Structure of the Heteronuclear Oxide Cluster [Ga2Mg2O5].+ in the Thermal Activation of Methane and Ethane: An Unusual Doping Effect J. Li, X. N. Wu, M. Schlangen, S. Zhou, P. González-Navarrete, S. Tang, H. Schwarz Angewandte Chemie International Edition 2015, 54, 5074–5078, 10.1002/anie.201412441

1643 Mechanistic aspects of the gas-phase coupling of thioanisole and chlorobenzene to dibenzothiophene catalyzed by atomic Ho S. Zhou, M. Schlangen, H. Schwarz Phys. Chem. Chem. Phys. 2015, 17, 9564–9568, 10.1039/c5cp01038a

1484 Mechanistic Aspects of the Gas-Phase Reactions of Halobenzenes with Bare Lanthanide Cations: A Combined Experimental/Theoretical Investigation S. Zhou, M. Schlangen, H. Schwarz Chemistry - A European Journal 2015, 21, 2123–2131, 10.1002/chem.201405964

1444 Highly regioselective hydride transfer, oxidative dehydrogenation, and hydrogen-atom abstraction in the thermal gas-phase chemistry of [Zn(OH)]+/C3H8 X. N. Wu, H. T. Zhao, J. Li, M. Schlangen, H. Schwarz Phys. Chem. Chem. Phys. 2014, 16, 26617–26623, 10.1039/c4cp02139h

1432 Mechanisms of Metal-mediated C−N Coupling Processes: A Synergistic Relationship Between Gas-phase Experiments and Computational Chemistry H. Schwarz, R. Kretschmer, M. Schlangen Understanding Organometallic Reaction Mechanisms and Catalysis Ananikov, Valentine Wiley-VCH 2014,

1426 How and Why Do Cluster Size, Charge State, and Ligands Affect the Course of Metal-Mediated Gas-Phase Activation of Methane? H. Schwarz Israel Journal of Chemistry 2014, 54, 1413–1431, 10.1002/ijch.201300134

1406 On divorcing isomers, dissecting reactivity, and resolving mechanisms of propane C—H and aryl C—X (X = halogen) bond activations mediated by a ligated copper(III) oxo complex N. J. Rijs, T. Weiske, M. Schlangen, H. Schwarz Chemical Physics Letters 2014, 608, 408–424, 10.1016/j.cplett.2014.05.005

1399 Thermal Ethane Activation by Bare [V2O5]+ and [Nb2O5]+ Cluster Cations: on the Origin of Their Different Reactivities X. N. Wu, S. Y. Tang, H. T. Zhao, T. Weiske, M. Schlangen, H. Schwarz Chemistry - A European Journal 2014, 20, 6672–6677, 10.1002/chem.201402055

1121 Thermal Activation of Ammonia by Transition-Metal Hydroxide Cations R. Kretschmer, M. Schlangen, H. Schwarz ChemPlusChem 2013, 78, 952–958, 10.1002/cplu.201300138

1098 Einfache und doppelte N-H-Aktivierung in NH3 durch [Al2O3].+ : Erzeugung des Aminylradikals und von Nitren bei Raumtemperatur R. Kretschmer, Z. C. Wang, M. Schlangen, H. Schwarz Angewandte Chemie 2013, 125, 9691–9695, 10.1002/ange.201302506

1097 Single and Double N-H Bond Activation of Ammonia by [Al2O3 ].+ : Room Temperature Formation of the Aminyl Radical and Nitrene R. Kretschmer, Z. C. Wang, M. Schlangen, H. Schwarz Angewandte Chemie International Edition 2013, 52, 9513–9517, 10.1002/anie.201302506

1096 Thermal Methane Activation by a Binary V-Nb Transition-Metal Oxide Cluster Cation: A Further Example for the Crucial Role of Oxygen-Centered Radicals Z. C. Wang, J. W. Liu, M. Schlangen, T. Weiske, D. Schröder, J. Sauer, H. Schwarz Chemistry - A European Journal 2013, 19, 11496–11501, 10.1002/chem.201302133

1095 Isomer-Selective Thermal Activation of Methane in the Gas Phase by [HMO]+ and [M(OH)]+ (M=Ti and V) R. Kretschmer, M. Schlangen, H. Schwarz Angewandte Chemie International Edition 2013, 52, 6097–6101, 10.1002/anie.201300900

1067 Mechanistic Aspects of Gas-Phase Hydrogen-Atom Transfer from Methane to [CO].+ and [SiO].+: Why Do They Differ? H. Schwarz, N. Dietl, A. Troiani, M. Schlangen, O. Ursini, G. Angelini, Y. Apeloig, G. de Petris Chemistry - A European Journal 2013, 19, 6662–6669, 10.1002/chem.201204157

1016 Structure and Chemistry of the Heteronuclear Oxo-Cluster [VPO4].+: A Model System for the Gas-Phase Oxidation of Small Hydrocarbons H. Schwarz, N. Dietls, T. Wende, K. Chen, L. Jiang, M. Schlangen, X. Zhao, K. R. Asmis Journal of the American Chemical Society 2013, 135, 3711–3721, 10.1021/ja400198y

945 Radical detection in harsh environments by means of laserinduced fluorescence using a single bidirectional optical fiber H. Schwarz, R. Schlögl, R. Horn Applied Physics B 2012, 109, 19–26, 10.1007/s00340-012-5172-9

935 C-N coupling in the gas-phase reactions of ammonia and [M(CH)]+ (M = Ni, Pd, Pt): a combined experimental/computational exercise H. Schwarz, R. Kretschmer, M. Schlangen Dalton Transactions 2013, 42, 4153–4162, 10.1039/c3dt32596b

863 On the Origin of the Surprisingly Sluggish Redox Reaction of the N2O/CO Couple Mediated by [Y2O2]+. and [YAlO2]+. Cluster Ions in the Gas Phase H. Schwarz, J. B. Ma, Z. C. Wang, M. Schlangen, S. G. He Angewandte Chemie International Edition 2013, 52, 1226–1230, 10.1002/anie.201208559

855 Effects of Ligands, Cluster Size, and Charge State in Gas-Phase Catalysis: A Happy Marriage of Experimental and Computational Studies H. Schwarz, M. Schlangen Catalysis Letters 2012, 142, 1265–1278, 10.1007/s10562-012-0892-3

854 Mechanistic Studies on the Gas-Phase Dehydrogenation of Alkanes at Cyclometalated Platinum Complexes H. Schwarz, B. Butschke Chemistry - A European Journal 2012, 18, 14055–14062, 10.1002/chem.201201652

820 Thermal Reactions of YAlO3+• with Methane: Increasing the Reactivity of Y2O3+• and the Selectivity of Al2O3+• by Doping H. Schwarz, J. B. Ma, Z. C. Wang, M. Schlangen, S. G. He Angewandte Chemie International Edition 2012, 51, 5991–5994, 10.1002/anie.201201698

819 A computational study on the intriguing mechanisms of the gas-phase thermal activation of methane by bare [Ni(H)(OH)]+ O. Lakuntza, J. M. Matxain, F. Ruipérez, M. Besora, F. Maseras, J. M. Ugalde, M. Schlangen, H. Schwarz Physical Chemistry Chemical Physics 2012, 14, 9306–9310, 10.1039/c2cp23502a

814 Thermal Ammonia Activation by Cationic Transition-Metal Hydrides of the First Row – Small but Mighty H. Schwarz, R. Kretschmer, M. Schlangen Chemistry - An Asian Journal 2012, 7, 1214–1220, 10.1002/asia.201101045

813 Thermal Hydrogen-Atom Transfer from Methane: The Role of Radicals and Spin States in Oxo-Cluster Chemistry H. Schwarz, N. Dietl, M. Schlangen Angewandte Chemie International Edition 2012, 51, 5544–5555, 10.1002/anie.201108363

812 Neutral Metal Atoms Acting as a Leaving Group in Gas-Phase SN2 Reactions: M(CH3)+ + NH3 -> CH3NH3+ + M (M = Zn, C, Hg) H. Schwarz, R. Kretschmer, M. Schlangen, M. Kaupp Organometallics 2012, 31, 3816–3824, 10.1021/om300116c

806 Direct Conversion of Methane into Formaldehyde Mediated by [Al2O3]•+ at Room Temperature H. Schwarz, Z. C. Wang, N. Dietl, R. Kretschmer, J. B. Ma, T. Weiske, M. Schlangen Angewandte Chemie International Edition 2012, 51, 3703–3707, 10.1002/anie.201200015

804 C-N and C-C Bond Formations in the Thermal Reactions of "Bare" Ni(NH2)+ with C2H4: Mechanistic Insight on the Metal-Mediated Hydroamination of an Unactivated Olefin H. Schwarz, R. Kretschmer, M. Schlangen Angewandte Chemie International Edition 2012, 51, 3483–3488, 10.1002/anie.201104433

781 "Rollover" cyclometalation - early history, recent developments, mechanistic insights and application aspects H. Schwarz, B. Butschke Chemical Science 2012, 3, 308–326, 10.1039/c1sc00651g

777 Mechanistic Aspects and Elementary Steps of N-H Bond Activation of Ammonia and C-N Coupling Induced by Gas-Phase Ions: A Combined Experimental/Computational Exercise H. Schwarz, R. Kretschmer, M. Schlangen Chemistry - A European Journal 2012, 18, 40–49, 10.1002/chem.201102494

771 Catalytic Redox Reactions in the CO/N2O System Mediated by the Bimetallic Oxide-Cluster Couple AlVO3+/AlVO4+ H. Schwarz, Z. C. Wang, N. Dietl, R. Kretschmer, T. Weiske, M. Schlangen Angewandte Chemie International Edition 2011, 50, 12351–12354, 10.1002/anie.201105691

668 Probing elementary steps of nickel-mediated bond activation in gas-phase reactions: Ligand- and cluster-size effects H. Schwarz, M. Schlangen Journal of Catalysis 2011, 284, 126–137, 10.1016/j.cat.2011.03.020

663 Structure of the Oxygen-Rich Cluster Cation Al2O7+ and its Reactivity toward Methane and Water H. Schwarz, Z. C. Wang, T. Weiske, R. Kretschmer, M. Schlangen, M. Kaupp Journal of the American Chemical Society 2011, 133, 16930–16937, 10.1021/ja206258x

662 The Missing Link: The Gas-Phase Generation of Platinum-Methylidyne Clusters PtnCH+ (n = 1, 2) and Their Reactions with Hydrocarbons and Ammonia H. Schwarz, B. Butschke Chemistry - A European Journal 2011, 17, 11761–11772, 10.1002/chem.201101018

661 Chemie mit Methan: Studieren geht über Probieren! H. Schwarz Angewandte Chemie 2011, 123, 10276–10297, 10.1002/ange.201006424

660 Chemistry with Methane: Concepts Rather than Recipes H. Schwarz Angewandte Chemie International Edition 2011, 50, 10096–10115, 10.1002/anie.201006424

659 On the Activation of Chloromethanes by Cyclometalated [Pt(bipy – H)]+ in the Gas Phase: A Mechanistic Study H. Schwarz, B. Butschke International Journal of Mass Spectrometry 2011, 306, 108–113, 10.1016/j.ijms.2010.08.030

656 Thermal Activation of Methane and Ethene by Bare MO.+ (M = Ge, Sn, and Pb): A Combined Theoreti-cal/Experimental Study K. Chen, Z. C. Wang, M. Schlangen, Y. D. Wu, X. Zhang, H. Schwarz Chemistry - A European Journal 2011, 17, 9619–9625, 10.1002/chem.201101538

602 Effiziente und selektive Monomethylierung kontra N-H-Bindungsaktivierung von Ammoniak: atomares Zink als Abgangsgruppe in einer SN2-Reaktion von nacktem Zn(CH3)+ und NH3 H. Schwarz, R. Kretschmer, M. Schlangen Angewandte Chemie 2011, 123, 5499–5503, 10.1002/ange.201100096

601 Efficient and Selective Gas-Phase Monomethylation versus N-H Bond Activation of Ammonia by Bare Zn(CH3)+: Atomic Zinc as a Leaving Group in an SN2 Reaction H. Schwarz, R. Kretschmer, M. Schlangen Angewandte Chemie International Edition 2011, 50, 5387–5391, 10.1002/anie.201100096

590 Bonding in cationic MOHn+ (M = K - La, Hf - Rn; n = 0 - 2): DFT performances and periodic trends H. Schwarz, X. Zhang Theoretical Chemistry Accounts 2011, 129, 389–399, 10.1007/s00214-010-0861-0

589 Über dir Rolle von [CuO]+ bei spinselektiven Wasserstoff- und Sauerstoff-Übertragungen in der Aktivierung von Methan H. Schwarz, N. Dietl, C. van der Linde, M. Schlangen, M. K. Beyer Angewandte Chemie 2011, 123, 5068–5072, 10.1002/ange.201100606

588 Diatomic [CuO]+ and Its Role in the Spin-Selective Hydrogen- and Oxygen-Atom Transfers in the Thermal Activation of Methane H. Schwarz, N. Dietl, C. van der Linde, M. Schlangen, M. K. Beyer Angewandte Chemie International Edition 2011, 50, 4966–4969, 10.1002/anie.201100606

521 Room-Temperature C-H Bond Activation of Methane by Bare [P4O10].+ H. Schwarz, N. Dietl, M. Engeser Angewandte Chemie International Edition 2009, 48, 4861–4863, 10.1002/anie.200901596

490 Neutralization-reionization study of the allyloxide anion H. Schwarz, D. Schröder, J. Roithová International Journal of Mass Spectrometry 2011, 301, 84–89, 10.1016/j.ijms.2010.07.007

489 Thermal Activation of N-H Bonds by Transition-Metal Oxide Cations: Does a Hierarchy Exist in First Row? H. Schwarz, R. Kretschmer, X. Zhang, M. Schlangen Chemistry - A European Journal 2011, 17, 3886–3892, 10.1002/chem.201003620

488 Thermal C-H Bond Activation of Benzene, Toluene, and Methane with Cationic [J(X)(bipy)]+ (M = Ni, Pd, Pt; X = CH3, Cl; bipy = 2,2\'-bipyridine): A Mechanistic Study H. Schwarz, B. Butschke Organometallics 2011, 30, 1599–1598, 10.1021/om101138d

420 Generation, Reactivity Towards Hydrocarbons, and Electronic Structure of Heteronuclear Vanadium Phosphorous Oxygen Cluster Ions H. Schwarz, N. Dietl, R. F. Höckendorf, M. Schlangen, M. Lerch, M. K. Beyer Angewandte Chemie International Edition 2011, 50, 1430–1434, 10.1002/anie.201005258

419 Directed, Remote Gas-Phase C2H and C2C Bond Activations by Metal Oxide Cations Anchored to a Nitrile Group H. Schwarz, N. Dietl, M. Schlangen Chemistry - A European Journal 2011, 17, 1783–1788, 10.1002/chem.201003041

407 Isomerization of an N-Heterocyclic Germylene to an Azagermabenzen-1-ylidene and Its Coupling to a Unique Bis(germylene) S. Yao, X. Zhang, Y. Xiong, H. Schwarz, M. Driess Organometallics 2010, 29, 5353–5357, 10.1021/om100383y

406 Aktivierung der C-H-Bindung von Methan bei Raumtemperatur durch nacktes [P4O10]+ N. Dietl, M. Engeser, H. Schwarz Angewandte Chemie 2009, 121, 4955–4957, 10.1002/ange.200901596

404 Darstellung, Reaktivität gegenüber Kohlenwasserstoffen und elektronische Struktur von heteronuclearen Vanadium-Phosphor-Sauerstoff-Clusterionen H. Schwarz, N. Dietl, R. F. Höckendorf, M. Schlangen, M. Lerch, M. K. Beyer Angewandte Chemie 2011, 123, 1466–1470, 10.1002/ange.201005258

402 Mechanistic Study on the Gas-Phase Generation of "Rollover"-Cyclometalated [M(bipy - H)]+ (M = Ni, Pd, Pt) B. Butschke, H. Schwarz Organometallics 2010, 29, 6002–6011, 10.1021/om100757e

401 Thermal Activation of Methane by Diatomic Metal Oxide Radical Cations: PbO+. as One of the Missing Pieces H. Schwarz, X. Zhang ChemCatChem 2010, 2, 1391–1394, 10.1002/cctc.201000259

400 N2 Activation by a Hafnium Complex: A DFT Study on CO-Assisted Dinitrogen Cleavage and Functionalization B. Butschke, X. Zhang, H. Schwarz Chemistry - A European Journal 2010, 16, 12564–12569, 10.1002/chem.201001635

399 Conversion of Methane to Methanol: Nickel, Palladium, and Platinum (d9) Cations as Catalysts for the Oxidation of Methane by Ozone at Room Temperature A. Bozovic, D. K. Bohme, M. Schlangen, S. Feil, X. Zhang, A. A. Viggiano, G. K. Koyanagi, H. Schwarz Chemistry - A European Journal 2010, 16, 11605–11610, 10.1002/chem.201000627

397 Selective C2H versus O2H Bond Activation of CH3OH upon Elextrospraying Methanolic Solutions of MX2 (M = Fe, Co, Ni; X = Br, I): A DFT-Study M. Schlangen, H. Schwarz ChemCatChem 2010, 2, 799–802, 10.1002/cctc.201000042

393 Bonding in Cationic MCH2+ (M = K-La, Hf-Rn): A Theoretical Study on Periodic Trends H. Schwarz, X. Zhang Chemistry - A European Journal 2010, 16, 5882–5888, 10.1002/chem.201000567

392 Competitive Hydrogen-Atom Abstraction versus Oxygen-Atom and Electron Transfers in Gas-Phase Reactions of [X4O10]C+ (X=P, V) with C2H4 H. Schwarz, N. Dietl, M. Engeser Chemistry - A European Journal 2010, 16, 4452–4456, 10.1002/chem.201000310

391 Ion-Molecule Reactions of "Rollover" Cyclometalated [Pt(bipy-H)]+ (bipy = 2,2'-bipyridine) with Dimethyl Ether in Comparison with Dimethyl Sulfide: An Experimental/Computational Study H. Schwarz, B. Butschke, S. Ghassemi Tabrizi Chemistry - A European Journal 2010, 16, 3962–3969, 10.1002/chem.200902742

386 Reactivity Pattern in the Room-Temperature Activation of NH3 by the Main-Group Atomic Ions Ga+, Ge+, As+ and Se+ H. Schwarz, V. Kapishon, D. K. Bohme, X. Zhang, G. K. Koyanagi European Journal of Inorganic Chemistry 2010, 2010, 1516–1521, 10.1002/ejic.200901126

379 On the Gas-Phase Decomposition of Acyclic Ethers Mediated by "Rollover" Cyclometalated [Pt(bipy - H)]+ (bipy = 2,2'-bipyridine): A Mechanistic Study H. Schwarz, B. Butschke, S. Ghassemi Tabrizi International Journal of Mass Spectrometry 2010, 291, 125–132, 10.1016/j.ijms.2010.01.015

298 Metal-dependent alternative activation of O-H and C-H bonds of methanol: on the formation and structure of "bare" [M,C,H3,O]+ complexes (M = Fe, Co, Ni) in the gas phase H. Schwarz, M. Schlangen Chemical Communications 2010, 46, 1878–1880, 10.1039/b924493j

268 Facile Dissociation of [(LNiII)2E2] Dichalcogenides: Evidence for [LNiIIE2] Superselenides and Supertellurides in Solution M. Driess, S. Yao, Y. Xiong, X. Zhang, M. Schlangen, H. Schwarz, C. Milsmann Angewandte Chemie International Edition 2009, 48, 4551–4455, 10.1002/anie.200901132

237 Generation of Gas-Phase Nanosized Vanadium Oxide Clusters from a Mononuclear Precursor by Solution Nucleation and Electrospray Ionization H. Schwarz, X. Zhang Chemistry - A European Journal 2010, 16, 1163–1167, 10.1002/chem.200902810

231 Ligand and electronic-structure effects in metal-mediated gas-phase activation of methane: A cold approach to a hot problem H. Schwarz, M. Schlangen Dalton Transactions 2009, 46, 10155–10165, 10.1039/b915165f

230 Isotope-Sensitive Degenerate [1,3]-Hydrogen Migration versus Competitive Enol-Keto Tautomerization H. Schwarz, X. Zhang, W. Zummack, D. Schröder, F. A. Weinhold Chemistry - A European Journal 2009, 15, 11815–11819, 10.1002/chem.200902176

229 A DFT-Based Analysis of the Grossly Varying Reactivity Pattern in Room-Temperature Activation and Dehydrogenation of CH4 by Main-Group Atomic M+ (M = Ga, Ge, As, and Se) H. Schwarz, X. Zhang Chemistry - A European Journal 2009, 15, 11559–11565, 10.1002/chem.200901956

227 Thermal Homo- and Heterolytic C-H Bond Activation of Ethane and Propane by Bare [P4O10]*+: Regioselectivities, Kinetic Isotope Effects, and Density Functional Theory Based Potential-Energy Surfaces H. Schwarz, N. Dietl, M. Engeser Chemistry - A European Journal 2009, 15, 11100–11104, 10.1002/chem.200901568

221 A Redox Non-Innocent Ligand Controls the Life Time of a Reactive Quartet Excited State - An MCSCF Study of [Ni(H)(OH)]+ H. Schwarz, Y. Dede, X. Zhang, M. Schlangen, M. H. Baik Journal of the American Chemical Society 2009, 131, 12634–12642, 10.1021/ja90293f

220 Thermal N-H Bond Activation on Anionic and Cationic Platinum clusters: Non-Predetermined Reaction Pathways Indicate Transitions to a Bulk Surface Reactivity H. Schwarz, M. Ončák, Y. Cao, R. Höckendorf, M. K. Beyer, R. Zahradník Chemistry - A European Journal 2009, 15, 8465–8474, 10.1002/chem.200900677

219 Thermal C-H Bond Activation of Benzene with Cationic [Pt(CX3)(L)] Complexes in the Gas Phase: A Combined Experimental/Theoretical Study (X=H, D; L=1,10-Phenanthroline, 2,2'-Bipyrimidine, 2,2'-Bipyridine, and (o,o'-Cl2C6H3)N=C(CH3)-C(CH3)=N(o,o'-Cl2C6H3)) H. Schwarz, D. Schröder, B. Butschke Organometallics 2009, 28, 4340–4349, 10.1021/om900388k

118 Platinum(II)-mediated dehydrosulfurization and oxidative carbon-carbon coupling in the gas-phase decomposition of thioethers H. Schwarz, B. Butschke, M. Schlangen, D. Schröder International Journal of Mass Spectrometry 2009, 283, 3–8, 10.1016/j.ijms.2008.10.019

95 Room-Temperature Alkyne-Nitrile Metathesis and Unambiguous Proof for the Existence of a High-Valent Iron-Nitrido Dication in the Gas Phase H. Schwarz, J. P. Boyd, M. Schlangen, A. Grohmann Helvetica Chimica Acta 2008, 91, 1430–1434, 10.1002/hlca.200890155

94 Competitive Intramolecular Aryl- and Alkyl-C-H Bond Activation and Ligand Evaporation from Gaseous Bisimino Complexes [Pt(L)(CH3)((CH3)2S)]+ (L = C6H5N=C(CH3)-C(CH3)=NC6H5) H. Schwarz, B. Butschke, M. Schlangen, D. Schröder Helvetica Chimica Acta 2008, 91, 1902–1915, 10.1002/hlca.200890204

93 "Roll-over" Cyclometalation of 2,2'-Bipyridine Platinum(II) Complexes in the Gas Phase: A Combined Experimental and Computational Study H. Schwarz, B. Butschke, M. Schlangen, D. Schröder Chemistry - A European Journal 2008, 14, 11050–11060, 10.1002/chem.200801658

92 DFT Studies on the Thermal Activation of Molecular Oxygen by Bare [Ni(H)(OH)]+ H. Schwarz, X. Zhang, M. Schlangen, M. H. Baik, Y. Dede Helvetica Chimica Acta 2009, 92, 151– 10.1002/hlca.200800411

91 Ligand Effects on the Mechanisms of Thermal Bond Activation in the Gas-Phase Reactions NiX+/CH4 → Ni(CH3)+/HX (C = H, CH3, OH, F) H. Schwarz, M. Schlangen Helvetica Chimica Acta 2008, 91, 2203–2210, 10.1002/hlca.200890238

90 Gas-phase activation of methane by ligated transition-metal cations H. Schwarz, D. Schröder Proceedings of the National Academy of Sciences of the United States of America 2008, 105, 18114–18119, 10.1073/pnas.0801849105

89 On the Mechanisms of Degenerate Ligand Exchange in [M(CH3)]+/CH4 Couples (M = Fe, Co, Ni, Ru, Rh, Pd, Os, Ir, Pt) as Explored by Mass Spectrometric and Computational Studies: Oxidative Addition/Reductive Elimination versus Sigma-Complex-Assisted Metathesis H. Schwarz, M. Armélin, M. Schlangen Chemistry - A European Journal 2008, 14, 5229–5236, 10.1002/chem.200800029

88 Methanaktivierung durch (Al2O3)x+ (x = 3, 4, 5): die Rolle von Sauerstoff-zentrierten Radikalen bei thermischer Abstraktion eines Wasserstoffatoms von Methan M. K. Beyer, J. Döbler, S. Feyel, H. Schwarz, J. Sauer, R. Höckendorf Angewandte Chemie 2008, 120, 1972–1976, 10.1002/ange.200704791

87 Activation of Methane by Oligomeric (Al2O3)x+ (x = 3, 4, 5): The Role of Oxygen-Centered Radicals in Thermal Hydrogen-Atom Abstraction M. K. Beyer, H. Schwarz, R. Höckendorf, J. Döbler, S. Feyel, J. Sauer Angewandte Chemie International Edition 2008, 47, 1946–1950, 10.1002/anie.200704791

86 Insertion of Molecular Oxygen in Transition-Metal Hydride Bonds, Oxygen-bond Activation, and Unimolecular Dissociation of Metal Hydroperoxide Intermediates H. Schwarz, M. Schlangen Helvetica Chimica Acta 2008, 91, 379–386, 10.1002/hlca.200890043