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Photochemical Route to Actinide-Transition Metal Bonds: Synthesis, Characterization and Reactivity of a Series of Thorium and Uranium Heterobimetallic Complexes. Stabilization of an Electron-Unsaturated Pd(I)–Pd(I) Unit by Double Hemichelation. Christophe Werlé, Lydia Karmazin, Corinne Bailly, Louis Ricard, and Jean-Pierre Djukic.Long-Lived Five-Coordinate Platinum(IV) Intermediates: Regiospecific C–C Coupling. Y Weak Interactions: Z = Main Group Elements Versus the Transition Metals.Contrasting Behavior of the Z Bonds in X–Z Journal of Chemical Theory and Computation 2020, 16
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Semiautomated Transition State Localization for Organometallic Complexes with Semiempirical Quantum Chemical Methods. Sebastian Dohm, Markus Bursch, Andreas Hansen, Stefan Grimme.Implementation of Cooperative Designs in Polarized Transition Metal Systems-Significance for Bond Activation and Catalysis. Basujit Chatterjee, Wei-Chieh Chang, Soumyashree Jena, Christophe Werlé.Fate of Cobaltacycles in Cp*Co-Mediated C–H Bond Functionalization Catalysis: Cobaltacycles May Collapse upon Oxidation via Co(IV) Species. Fule Wu, Christophe Deraedt, Yann Cornaton, Laurent Ruhlmann, Lydia Karmazin, Corinne Bailly, Nathalie Kyritsakas, Nolwenn Le Breton, Sylvie Choua, Jean-Pierre Djukic.Noncovalent Interactions in Organometallic Chemistry: From Cohesion to Reactivity, a New Chapter. This article is cited by 28 publications. Theory shows that the formation of these unusual structures of bimetallic synfacial η 1-indenyl-Pd/Pt complexes is driven thermodynamically by attractive Coulombic occlusion of the fourth vacant coordination site at Pd/Pt centers by the Cr(CO) 3 moiety. The structures of eight of these novel complexes are disclosed, and their bonding features are investigated by an array of theoretical methods based on the density functional theory (NBO, EDA, ETS-NOCV, AIM, NCI region analysis). The reaction of the in situ formed tricarbonyl(η 6-2-methylindenyl)chromium anion with a series of Pd and Pt metallacycles afforded new air-stable and persistent synfacial heterobimetallic complexes in which the metallacycle binds the indenyl fragment via its metal in an η 1 fashion, leaving the fourth coordination site at the chelated metal virtually vacant. It takes advantage of the ambiphilic character of the tricarbonyl(η 6-indenyl)chromium anion, of which the main property is to behave as a hemichelating ligand, that is a nonconventional heteroditopic ligand capable of chelating a metal center by way of covalent and noncovalent bonding, thus preserving its unsaturated valence shell. A rational method of synthesis of stable neutral T-shaped 14 electron Pd and Pt complexes is proposed.