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DFT-Supported Threshold Ionization Study of Chromium Biphenyl Complexes: Unveiling the Mechanisms of Substituent Influence on Redox Properties of Sandwich Compounds
10.1002/chem.201702226 2017-08-09 High-resolution mass-analyzed threshold ionization (MATI) spectra of (η6-Ph2)2Cr and (η6-Ph2)(η6-PhMe)Cr demonstrate that the Ph groups work as electron donors, decreasing the ionization energy of the gas-phase bisarene complexes. In contrast to electrochemic... |
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Dynamic Covalent Chemistry of Aldehyde Enamines: BiIII- and ScIII-Catalysis of Amine–Enamine Exchange
10.1002/chem.201702363 2017-08-09 The dynamic exchange of enamines from secondary amines and enolizable aldehydes has been demonstrated in organic solvents. The enamine exchange with amines was efficiently catalyzed by Bi(OTf)3 and Sc(OTf)3 (2 mol %) and the equilibria (60 mm) could be attain... |
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The First Triple-Decker Complex with a Carbenium Center, [CpCo(μ-C3B2Me5)RuC5Me4CH2]+: Synthesis, Reactivity, X-Ray Structure, and Bonding
10.1002/chem.201702571 2017-08-09 The first derivative of the methylium cation with the triple-decker substituent, [CpCo(C3B2Me5)RuC5Me4CH2]PF6 (2PF6), was synthesized from the reaction of the triple-decker complex CpCo(C3B2Me5)RuCp* (1) with the salt of the trityl cation [CPh3]+. The X-ray c... |
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Synthesis, Characterization, and Efficient Catalytic Activities of a Nickel(II) Porphyrin: Remarkable Solvent and Substrate Effects on Participation of Multiple Active Oxidants
10.1002/chem.201702750 2017-08-09 A new nickel(II) porphyrin complex, [NiII(porp)] (1), has been synthesized and characterized by 1H NMR, 13C NMR and mass spectrometry analysis. This NiII porphyrin complex 1 quantitatively catalyzed the epoxidation reaction of a wide range of olefins with met... |
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A Toolbox of Chromones and Quinolones for Measuring a Wide Range of ATP Concentrations
10.1002/chem.201702484 2017-08-09 A series of 26 3-hydroxychromones, three bis-flavonols and four 3-hydroxyquinolones were studied to evaluate their fluorescence response to interaction with ATP in buffer. The dyes differ by the total charge, the size and number of their aromatic units, as we... |
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Mechanistic Insights on the Reduction of CO2 to Silylformates Catalyzed by Ir-NSiN Species
10.1002/chem.201702246 2017-08-09 The hydrosilylation of CO2 with different silanes such as HSiEt3, HSiMe2Ph, HSiMePh2, HSiMe(OSiMe3)2, and HSi(OSiMe3)3 in the presence of catalytic ammounts of the iridium(III) complex [Ir(H)(CF3CO2)(NSiN*)(coe)] (1; NSiN*=fac-bis-(4-methylpyridine-2-yloxy); ... |
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Discrepancy Between Experimental and Theoretical Predictions of the Adiabaticity of Ti++CH3OH
10.1002/chem.201703002 2017-08-09 The reaction between Ti+ and methanol (CH3OH) is a model system for competition between activation of C−O, C−H, and O−H bonds and of the role of excited electronic pathways in catalytic processes. Herein, we use experimental kinetics, quantum chemical calcula... |
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Construction of All-Solid-State Batteries based on a Sulfur-Graphene Composite and Li9.54Si1.74P1.44S11.7Cl0.3 Solid Electrolyte
10.1002/chem.201703116 2017-08-09 Herein an effective way for construction of all-solid-state lithium-sulfur batteries (LSBs) with sulfur/reduced graphene oxide (rGO) and Li9.54Si1.74P1.44S11.7Cl0.3 solid electrolyte is reported. In the composite cathode, the Li9.54Si1.74P1.44S11.7Cl0.3 powde... |
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Ligand- and Solvent-Tuned Chemoselective Carbonylation of Bromoaryl Triflates
10.1002/chem.201703190 2017-08-09 A palladium-catalyzed chemoselective carbonylative transformation of bromoaryl triflates has been established. The selective C−Br versus C−OTf functionalization can be remarkably tuned by the combination of ligand (Xantphos vs. DPPF) and solvent (toluene vs. ... |
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Double Gold Activation of 1-Ethynyl-2-(Phenylethynyl)Benzene Toward 5-exo-dig and 6-endo-dig Cyclization Reactions
10.1002/chem.201701595 2017-08-09 In this work, a detailed characterization was carried out of the ring-closure mechanism of EPB (1-ethynyl-2-(phenylethynyl)benzene) toward the 5-exo-dig and 6-endo-dig cyclization reactions, catalyzed by two Au–N-heterocyclic carbene (NHC) moieties. It was fo... |