Výsledky vyhledávání - "Krister Zetterberg"

Theoretical Studies of the Mechanism of Aerobic Alcohol Oxidation with Palladium Catalyst Systems

Autor: Christina Moberg, Timofei Privalov, Krister Zetterberg, Christian van der Linde

Publikováno v: Organometallics. 24:885-893

Density functional theory (DFT) was applied to a comprehensive mechanistic study of the Pd(II)-catalyzed oxidation of alcohols by molecular oxygen. Both parts of the catalytic cycle, i.e., the oxid...

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::8426191ca5efb5ab5ed320cbc65d1c25
https://doi.org/10.1021/om049141q

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Aerobic Oxidation of 1-Phenylethanol Catalyzed by Palladaheterocycles

Autor: Krister Zetterberg, Sari Paavola, Timofei Privalov, Ingeborg Csöregh, Christina Moberg

Publikováno v: Advanced Synthesis & Catalysis. 346:237-244

Cyclometallated palladium compounds with pyridine were shown to serve as more efficient catalysts for the aerobic oxidation of 1-phenylethanol than a previously investigated analogue with an oxazoline ring. Substituents with different electronic prop

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https://doi.org/10.1002/adsc.200303166

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Insertion Aptitudes and Insertion Regiochemistry of Various Alkenes Coordinated to Cationic (σ-R)(diimine)palladium(II) (R = −CH3, −C6H5). A Theoretical Study

Autor: Mats Svensson, and Björn Åkermark, Krister Zetterberg, Staffan Strömberg, Maik Ludwig, Henrik Von Schenck

Publikováno v: Organometallics. 20:2813-2819

The coordination of a range of substituted alkenes (C2H3X; X = H, CH3, t-Bu, CN, CO2CH3, CF3, OCH3, CHCH2, C6H5, F, Cl, Br) to a cationic methyl- or phenylpalladium(II)diimine complex and the subse...

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https://doi.org/10.1021/om000926f

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Ni(acac)2-DAD/MAO: A new catalytic system for ethylene polymerization

Autor: Krister Zetterberg, Xiaofeng Zeng

Publikováno v: Macromolecular Chemistry and Physics. 199:2677-2681

The halide-free combination of Ni(acac) 2 and DAD(diazadiene, ArN=CH-CH=NAr, where Ar = 2,6-C 6 H 3 (i-Pr) 2 ) is active for ethylene polymerization in the presence of methylaluminoxane (MAO). The performance of this new catalytic system was evaluate

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https://doi.org/10.1002/(sici)1521-3935(19981201)199:12<2677::aid-macp2677>3.0.co

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Protonation of π-alkene–rhodium(I) complexes leads to σ-alkyl–rhodium(III)—an NMR study

Autor: Lars Öhrström, Julius Glaser, Krister Zetterberg, Staffan Strömberg

Publikováno v: Journal of Organometallic Chemistry. 558:123-130

The reaction of Rh(beta-diketonato)(alkene)(2) complexes with CF3SO3H in THF gives Rh(beta-diketonato)(alkyl) species when the alkene is ethylene, cis-butene or 5-methylene-cycloheptene whereas 1,5-cyclooctadiene complexes are unreactive. The reactio

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https://doi.org/10.1016/s0022-328x(98)00370-2

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Binding of Ethylene to Anionic, Neutral, and Cationic Nickel(II), Palladium(II), and Platinum(II) cis/trans Chloride Ammonia Complexes. A Theoretical Study

Autor: Staffan Strömberg, Mats Svensson, Krister Zetterberg

Publikováno v: Organometallics. 16:3165-3168

Calculations using the hybrid density functional method B3LYP have been performed on square-planar, group X metal complexes of the type (C2H4)MClx(NH3)3-x (M = Ni(II), Pd(II), or Pt(II); x = 1, 2, ...

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https://doi.org/10.1021/om970261q

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Density Functional Study of the Mechanism of the Palladium(II)-Catalyzed Ethylene Polymerization Reaction

Autor: Krister Zetterberg, Staffan Strömberg, Djamaladdin G. Musaev, Mats Svensson, Keiji Morokuma, Per E. M. Siegbahn

Publikováno v: Organometallics. 16:1933-1945

The hybrid density functional B3LYP method has been used to study the mechanism of ethylene polymerization catalyzed by the Pd(II) diimine complex. The chain initiation starts with coordination of ethylene to the active catalyst [L2PdCH3]+, followed

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https://doi.org/10.1021/om961033j

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Trends within a triad: comparison between σ-alkyl complexes of nickel, palladium and platinum with respect to association of ethylene, migratory insertion and β-hydride elimination. A theoretical study §

Autor: Krister Zetterberg, Per E. M. Siegbahn, Staffan Strömberg

Publikováno v: Journal of the Chemical Society, Dalton Transactions. :4147-4152

Density functional B3LYP calculations have been performed for (diimine)(σ-methyl)metal(1+) complexes (M = NiII, PdII or PtII), associating ethylene to afford (diimine)(η2-ethylene)(σ-methyl)metal(1+). All three metals co-ordinate ethylene strongly

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https://doi.org/10.1039/a704584k

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Intrinsic Aptitude of Cationic Methyl- and Ethylpalladium To Associate Ethylene and To Further Undergo Subsequent Migratory Insertion. A Theoretical Study

Autor: Krister Zetterberg, Per E. M. Siegbahn, Staffan Strömberg and

Publikováno v: Organometallics. 15:5542-5550

Density Functional Theory (DFT) calculations at the B3LYP level and PCI-80 calculations have been carried out for the following reaction sequence: (a) association of ethylene to cationic (σ-alkyl)palladium(II) complexes, forming a π-ethylene σ-alk

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https://doi.org/10.1021/om9602973

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