Pure and Applied Chemistry

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• Nibbering Nico M.M.: Highlights of 50 years of ionic reaction mechanistic studies. International Journal of Mass Spectrometry 2014. <http://dx.doi.org/10.1016/j.ijms.2014.02.002>
• Ard Shaun G., Melko Joshua J., Ushakov Vladimir G., Johnson Ryan, Fournier Joseph A., Shuman Nicholas S., Guo Hua, Troe Jürgen, Viggiano Albert A.: Activation of Methane by FeO+: Determining Reaction Pathways through Temperature-Dependent Kinetics and Statistical Modeling. J. Phys. Chem. A 2014, 140306122811009. <http://dx.doi.org/10.1021/jp5000705>
• Li Guangtao, Li Xin, Ouyang Zheng, Cooks R. Graham: Carbon-Carbon Bond Activation in Saturated Hydrocarbons by Field-Assisted Nitrogen Fixation. Angew. Chem. 2013, 125, 1074. <http://dx.doi.org/10.1002/ange.201207997>
• Kretschmer Robert, Schlangen Maria, Schwarz Helmut: Isomerenabhängige, thermische Aktivierung von Methan durch [HMO] + und [M(OH)] + (M=Ti und V) in der Gasphase. Angew. Chem. 2013, 125, 6213. <http://dx.doi.org/10.1002/ange.201300900>
• Li Guangtao, Li Xin, Ouyang Zheng, Cooks R. Graham: Carbon-Carbon Bond Activation in Saturated Hydrocarbons by Field-Assisted Nitrogen Fixation. Angew. Chem. Int. Ed. 2013, 52, 1040. <http://dx.doi.org/10.1002/anie.201207997>
• Kretschmer Robert, Schlangen Maria, Schwarz Helmut: Isomer-Selective Thermal Activation of Methane in the Gas Phase by [HMO] + and [M(OH)] + (M=Ti and V). Angew. Chem. Int. Ed. 2013, 52, 6097. <http://dx.doi.org/10.1002/anie.201300900>
• Wang Zhe-Chen, Liu Jian-Wen, Schlangen Maria, Weiske Thomas, Schröder Detlef, Sauer Joachim, Schwarz Helmut: Thermal Methane Activation by a Binary V-Nb Transition-Metal Oxide Cluster Cation: A Further Example for the Crucial Role of Oxygen-Centered Radicals. Chem. Eur. J. 2013, 19, 11496. <http://dx.doi.org/10.1002/chem.201302133>
• Strassner Thomas, Ahrens Sebastian, Muehlhofer Michael, Munz Dominik, Zeller Alexander: Cobalt-Catalyzed Oxidation of Methane to Methyl Trifluoroacetate by Dioxygen. Eur. J. Inorg. Chem. 2013, 2013, 3659. <http://dx.doi.org/10.1002/ejic.201300213>
• Hinton Christopher S., Citir Murat, Armentrout P.B.: Guided ion-beam and theoretical studies of the reaction of Os+ (6D) with O2: Adiabatic and nonadiabatic behavior. International Journal of Mass Spectrometry 2013, 354-355, 87. <http://dx.doi.org/10.1016/j.ijms.2013.05.015>
• Motozuka Satoshi, Tagaya Motohiro, Ikoma Toshsiyuki, Morinaga Masahiko, Yoshioka Tomohiko, Tanaka Junzo: Efficient Methane Conversion to Hydrogen by the Force-Activated Oxides on Iron Particle Surfaces. J. Phys. Chem. C 2013, 117, 16104. <http://dx.doi.org/10.1021/jp405316t>
• Kretschmer Robert, Schlangen Maria, Schwarz Helmut: C–N coupling in the gas-phase reactions of ammonia and [M(CH)]+ (M = Ni, Pd, Pt): a combined experimental/computational exercise. Dalton Trans. 2013, 42, 4153. <http://dx.doi.org/10.1039/c3dt32596b>
• Kretschmer Robert, Schlangen Maria, Schwarz Helmut: 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. Chemistry A European Journal 2012, 18, 40. <http://dx.doi.org/10.1002/chem.201102494>
• Schlangen Maria, Schwarz Helmut: Effects of Ligands, Cluster Size, and Charge State in Gas-Phase Catalysis: A Happy Marriage of Experimental and Computational Studies. Catal Lett 2012, 142, 1265. <http://dx.doi.org/10.1007/s10562-012-0892-3>
• Filthaus Matthias, Schwertmann Larissa, Neuhaus Patrik, Seidel Rüdiger W., Oppel Iris M., Bettinger Holger F.: C–H Bond Amination by Photochemically Generated Transient Borylnitrenes at Room Temperature: A Combined Experimental and Theoretical Investigation of the Insertion Mechanism and Influence of Substituents. Organometallics 2012, 31, 3894. <http://dx.doi.org/10.1021/om300063y>
• Timmer George H., Berry John F.: Electrophilic aryl C–H amination by dimetal nitrides: correlating electronic structure with reactivity. Chem. Sci. 2012, 3, 3038. <http://dx.doi.org/10.1039/c2sc20688a>
• Schwarz Helmut: Chemie mit Methan: Studieren geht über Probieren!. angew chemie 2011, 123, 10276. <http://dx.doi.org/10.1002/ange.201006424>
• Wang Zhe-Chen, Dietl Nicolas, Kretschmer Robert, Weiske Thomas, Schlangen Maria, Schwarz Helmut: Redoxreaktionen des CO/N2O-Systems, katalysiert durch das bimetallische Oxidclusterpaar AlVO3+/AlVO4+. angew chemie 2011, 123, 12559. <http://dx.doi.org/10.1002/ange.201105691>
• Schwarz Helmut: Chemistry with Methane: Concepts Rather than Recipes. Angew Chem Int E 2011, 50, 10096. <http://dx.doi.org/10.1002/anie.201006424>
• Wang Zhe-Chen, Dietl Nicolas, Kretschmer Robert, Weiske Thomas, Schlangen Maria, Schwarz Helmut: Catalytic Redox Reactions in the CO/N2O System Mediated by the Bimetallic Oxide-Cluster Couple AlVO3+/AlVO4+. Angew Chem Int E 2011, 50, 12351. <http://dx.doi.org/10.1002/anie.201105691>
• Wang Zhe-Chen, Wu Xiao-Nan, Zhao Yan-Xia, Ma Jia-Bi, Ding Xun-Lei, He Sheng-Gui: CH Activation on Aluminum-Vanadium Bimetallic Oxide Cluster Anions. Chem Eur J 2011, 17, 3449. <http://dx.doi.org/10.1002/chem.201002409>
• Zhang Xinhao, Schwarz Helmut: Bonding in cationic MOH n + (M = K − La, Hf − Rn; n = 0–2): DFT performances and periodic trends. Theor Chem Acc 2011, 129, 389. <http://dx.doi.org/10.1007/s00214-010-0861-0>
• Wang Zhe-Chen, Weiske Thomas, Kretschmer Robert, Schlangen Maria, Kaupp Martin, Schwarz Helmut: Structure of the Oxygen-Rich Cluster Cation Al₂O₇⁺ and its Reactivity toward Methane and Water. S J Am Chem Soc 2011, 133, 16930. <http://dx.doi.org/10.1021/ja206258x>
• Hinton Christopher S., Citir Murat, Armentrout P. B.: Guided ion beam and theoretical study of the reactions of Os+ with H2, D2, and HD. Journal Chemical Physics 2011, 135, 234302. <http://dx.doi.org/10.1063/1.3669425>
• Schröder Detlef, Roithová Jana, Alikhani Esmail, Kwapien Karolina, Sauer Joachim: Preferential Activation of Primary CH Bonds in the Reactions of Small Alkanes with the Diatomic MgO+. Cation. Chemistry A European Journal 2010, 16, 4110. <http://dx.doi.org/10.1002/chem.200902373>
• Zhang Xinhao, Schwarz Helmut: Bonding in Cationic MCH2 + (M=K-La, Hf-Rn): A Theoretical Study on Periodic Trends. Chemistry - A European Journal 2010, 16, 5882. <http://dx.doi.org/10.1002/chem.201000567>
• Schwarz Helmut, Schroder Detlef: ChemInform Abstract: Concepts of Metal-Mediated Methane Functionalization: An Intersection of Experiment and Theory. ChemInform 2010, 32, no. <http://dx.doi.org/10.1002/chin.200132276>
• Koyanagi Gregory K., Kapishon Vitaliy, Bohme Diethard K., Zhang Xinhao, Schwarz Helmut: Reactivity Pattern in the Room-Temperature Activation of NH3 by the Main-Group Atomic Ions Ga+, Ge+, As+ and Se+. Euro J Inorg Chem 2010, 2010, 1516. <http://dx.doi.org/10.1002/ejic.200901126>
• Poverenov Elena, Iron Mark A., Gandelman Mark, Ben-David Yehoshoa, Milstein David: Anionic d8 Alkyl Hydrides - Selective Formation and Reactivity of Anionic cis-PtII Methyl Hydride. Euro J Inorg Chem 2010, 2010, 1991. <http://dx.doi.org/10.1002/ejic.201000052>
• Flory Michael A., Apponi Aldo J., Zack Lindsay N., Ziurys Lucy M.: Activation of Methane by Zinc: Gas-Phase Synthesis, Structure, and Bonding of HZnCH₃. J Am Chem Soc 2010, 132, 17186. <http://dx.doi.org/10.1021/ja106121v>
• Dietl Nicolas, Engeser Marianne, Schwarz Helmut: Aktivierung der C&hyphen;H&hyphen;Bindung von Methan bei Raumtemperatur durch nacktes &lsqb;P₄O₁₀&rsqb;^.&plus;. Angew Chem 2009, 121, 4955. <http://dx.doi.org/10.1002/ange.200901596>
• Dietl Nicolas, Engeser Marianne, Schwarz Helmut: Room-Temperature CH Bond Activation of Methane by Bare [P₄O₁₀]^.+. Angew Chem Int Ed 2009, 48, 4861. <http://dx.doi.org/10.1002/anie.200901596>
• Dietl Nicolas, Engeser Marianne, Schwarz Helmut: Thermal Homo- and Heterolytic CH Bond Activation of Ethane and Propane by Bare [P₄O ₁₀]^.+: Regioselectivities, Kinetic Isotope Effects, and Density Functional Theory Based Potential-Energy Surfaces. Chem Eur J 2009, 15, 11100. <http://dx.doi.org/10.1002/chem.200901568>
• Zhang Xinhao, Schwarz Helmut: A DFT-Based Analysis of the Grossly Varying Reactivity Pattern in Room-Temperature Activation and Dehydrogenation of CH 4 by Main-Group Atomic M + (M=Ga, Ge, As, and Se). Chem. Eur. J. 2009, 15, 11559. <http://dx.doi.org/10.1002/chem.200901956>
• Schlangen Maria, Schwarz Helmut: Ligand and electronic-structure effects in metal-mediated gas-phase activation of methane: A cold approach to a hot problem. Dalton Trans 2009, 10155. <http://dx.doi.org/10.1039/b915165f>
• Ricketts Claire L., Schröder Detlef, Alcaraz Christian, Roithová Jana: Growth of Larger Hydrocarbons in the Ionosphere of Titan. Chem Eur J 2008, 14, 4779. <http://dx.doi.org/10.1002/chem.200800524>
• Butschke Burkhard, Schlangen Maria, Schröder Detlef, Schwarz Helmut: 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). HCA 2008, 91, 1902. <http://dx.doi.org/10.1002/hlca.200890204>
• Roithová Jana, Ricketts Claire L., Schröder Detlef: On the C-C Coupling of the Naphthylium Ion with Methane. Collect Czech Chem Commun 2008, 73, 811. <http://dx.doi.org/10.1135/cccc20080811>
• Schröder Detlef, Schwarz Helmut, Schlangen Maria: Thermische Aktivierung von Methan durch kationische Nickelkomplexe: Einfluss von Liganden und formaler Oxidationsstufe. Angew Chem 2007, 119, 1667. <http://dx.doi.org/10.1002/ange.200603266>
• Schlangen Maria, Schwarz Helmut: Thermische Aktivierung von Methan durch kationische Metallhydride MH+ der 10. Gruppe: gleich und doch verschieden. Angew Chem 2007, 119, 5711. <http://dx.doi.org/10.1002/ange.200605145>
• Schlangen Maria, Schröder Detlef, Schwarz Helmut: Pronounced Ligand Effects and the Role of Formal Oxidation States in the Nickel-Mediated Thermal Activation of Methane. Angew Chem Int Ed 2007, 46, 1641. <http://dx.doi.org/10.1002/anie.200603266>
• Schlangen Maria, Schwarz Helmut: Thermal Activation of Methane by Group 10 Metal Hydrides MH+: The Same and Not the Same. Angew Chem Int Ed 2007, 46, 5614. <http://dx.doi.org/10.1002/anie.200605145>
• Schlangen Maria, Schröder Detlef, Schwarz Helmut: Ligand and Substrate Effects in Gas-Phase Reactions of NiX+/RH Couples (X=F, Cl, Br, I; R=CH3, C2H5,nC3H7,nC4H9). Chem Eur J 2007, 13, 6810. <http://dx.doi.org/10.1002/chem.200700506>
• Schlangen Maria, Schwarz Helmut, Schröder Detlef: Specific Processes and Scrambling in the Dehydrogenation of Ethane and the Degenerate Hydrogen Exchange in the Gas-Phase Ion Chemistry of the Ni(C,H3,O)+/C2H6 Couple. HCA 2007, 90, 847. <http://dx.doi.org/10.1002/hlca.200790088>
• Mó Otilia, Yáñez Manuel, Salpin Jean-Yves, Tortajada Jeanine: Thermochemistry, bonding, and reactivity of Ni+ and Ni2+ in the gas phase. Mass Spectrom Rev 2007, 26, 474. <http://dx.doi.org/10.1002/mas.20134>
• MacAleese Luke, Maître Philippe: Infrared spectroscopy of organometallic ions in the gas phase: From model to real world complexes. Mass Spectrom Rev 2007, 26, 583. <http://dx.doi.org/10.1002/mas.20138>
• Leopoldini Monica, Marino Tiziana, Michelini Maria del Carmen, Rivalta Ivan, Russo Nino, Sicilia Emilia, Toscano Marirosa: The role of quantum chemistry in the elucidation of the elementary mechanisms of catalytic processes: from atoms, to surfaces, to enzymes. Theor Chem Acc 2007, 117, 765. <http://dx.doi.org/10.1007/s00214-006-0199-9>
• Feyel Sandra, Döbler Jens, Schröder Detlef, Sauer Joachim, Schwarz Helmut: Raumtemperaturaktivierung von Methan durch das vierkernige Oxidclusterion [V4O10]+. Angew Chem 2006, 118, 4797. <http://dx.doi.org/10.1002/ange.200600188>
• Feyel Sandra, Döbler Jens, Schröder Detlef, Sauer Joachim, Schwarz Helmut: Thermal Activation of Methane by Tetranuclear [V4O10]+. Angew Chem Int Ed 2006, 45, 4681. <http://dx.doi.org/10.1002/anie.200600188>
• Rivalta Ivan, Russo Nino, Sicilia Emilia: Methane activation by chromium oxide cations in the gas phase: A theoretical study. J Comput Chem 2006, 27, 174. <http://dx.doi.org/10.1002/jcc.20335>
• O'Hair Richard A. J.: The 3D quadrupole ion trap mass spectrometer as a complete chemical laboratory for fundamental gas-phase studies of metal mediated chemistry. Chem Commun 2006, 1469. <http://dx.doi.org/10.1039/b516348j>
• Gilb S., Arenz M., Heiz U.: The polymerization of acetylene on supported metal clusters. Low Temp Phys 2006, 32, 1097. <http://dx.doi.org/10.1063/1.2389021>
• Böhme Diethard K., Schwarz Helmut: Gasphasenkatalyse mit atomaren und Cluster-Metall-Ionen: ultimative “Single-Site”-Katalysatoren. Angew Chem 2005, 117, 2388. <http://dx.doi.org/10.1002/ange.200461698>
• Böhme Diethard K., Schwarz Helmut: Gas-Phase Catalysis by Atomic and Cluster Metal Ions: The Ultimate Single-Site Catalysts. Angew Chem Int Ed 2005, 44, 2336. <http://dx.doi.org/10.1002/anie.200461698>
• Engeser Marianne, Schröder Detlef, Schwarz Helmut: Gas-Phase Dehydrogenation of Methanol with Mononuclear Vanadium-Oxide Cations. Chem Eur J 2005, 11, 5975. <http://dx.doi.org/10.1002/chem.200401352>
• Schwarz Helmut: On the spin-forbiddeness of gas-phase ion–molecule reactions: a fruitful intersection of experimental and computational studies. Int J Mass Spectrosc 2004, 237, 75. <http://dx.doi.org/10.1016/j.ijms.2004.06.006>
• Koszinowski Konrad, Schlangen Maria, Schröder Detlef, Schwarz Helmut: CH- and NH-activation by gaseous Rh2+ and PtRh+ cluster ions. Int J Mass Spectrosc 2004, 237, 19. <http://dx.doi.org/10.1016/j.ijms.2004.06.009>
• Sicilia Emilia, Russo Nino, Faska Nadia, Auhmani Abdelouahed, Esseffar M'hamed, Ciofalo Maurizio, La Manna Gianfranco: Structures, harmonic vibrational frequencies and interconversion potential energy profile of Ni+(C2H2)2 complexes. Journal of Molecular Structure: THEOCHEM 2004, 709, 167. <http://dx.doi.org/10.1016/j.theochem.2003.10.081>
• Thompson Christopher J., Stringer Kay L., McWilliams Melanie, Metz Ricardo B.: Electronic spectroscopy of predissociative states of platinum oxide cation. chem phys letts 2003, 376, 588. <http://dx.doi.org/10.1016/S0009-2614(03)01046-7>
• Le Caër Sophie, Mestdagh Hélène, Maı̂tre Philippe: Condensation reaction vs. ligand exchange with first-row transition metal cations: a theoretical study of Cu+ heteroleptic model complexes. Int J Mass Spectrosc 2003, 227, 587. <http://dx.doi.org/10.1016/S1387-3806(03)00099-X>
• Luna A, Mó O, Yáñez M, Morizur J.-P, Leclerc E, Desmazières B, Haldys V, Chamot-Rooke J, Tortajada J: Specific reactivity of 1-alkenes with transition metal cations. Int J Mass Spectrosc 2003, 228, 359. <http://dx.doi.org/10.1016/S1387-3806(03)00130-1>
• da Rocha Lilian Lúcia, Sparrapan Regina, Eberlin Marcos N.: Reactions of gaseous halocarbonyl cations with aromatic compounds: ionic carbonylation of inert CH bonds. Int J Mass Spectrosc 2003, 228, 901. <http://dx.doi.org/10.1016/S1387-3806(03)00239-2>
• Simon Aude, MacAleese Luke, Boissel Pierre, Maı̂tre Philippe: Towards the characterization of the mechanism of the sequential activation of four methane molecules by Ta+. Int J Mass Spectrosc 2002, 219, 457. <http://dx.doi.org/10.1016/S1387-3806(02)00700-5>