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Concept

Agostic interaction

Related publications (8)

Insights into the microbial reduction of pentavalent and hexavalent uranium species by Shewanella oneidensis MR-1

Margaux Camille Andréa Molinas

Decades of uranium-related activities such as ore mining, nuclear power generation, weapon manufacture, storage of nuclear wastes, have contributed to the release of U in the environment. U occurrence is concerning, since in surface environments, U is typi ...

EPFL2021

Assembly of High-Spin [Fe-3] Clusters by Ligand-Based Multielectron Reduction

Rosario Scopelliti, Marinella Mazzanti, Ivica Zivkovic, Davide Toniolo

The hexanuclear [Na12Fe6(tris-cyclo-salophen)(2)(THF)(14)], 1-THF, and the trinuclear [Na6Fe3(tris-cyclo-salophen)(py)(9)], 1-py, Fe(II) clusters can be easily assembled in one step from the ligand-based reduction of the [FeII(salophen)(THF)] complex. Thes ...

2020

Activation of small molecules promoted by multimetallic complexes supported by redox active ligands

Davide Toniolo

The activation of small molecule is a topic of high current interest. A variety of homogeneous end heterogeneous catalysts have been studied to be able to promote chemical transformation of industrial relevance under mild condition and therefore decrease t ...

EPFL2020

Effects of Zeolite Structural Confinement on Adsorption Thermodynamics and Reaction Kinetics for Monomolecular Cracking and Dehydrogenation of n-Butane

Berend Smit

The effects of zeolite structure on the kinetics of n-butane monomolecular cracking and dehydrogenation are investigated for eight zeolites differing in the topology of channels and cages. Monte Carlo simulations are used to calculate enthalpy and entropy ...

American Chemical Society2016

Long-Range Bonding/Nonbonding Interactions: A Donor Acceptor Resonance Studied by Dynamic NMR

Long-range bonding interactions were evaluated using variable-temperature NMR spectroscopy and suitable 2'-CH2X-substituted phenylpyridines (X = Me, NMe2, OMe, F). It was found that the arylpyridyl rotational barriers were lower when electronegative atoms ...

Amer Chemical Soc2015

Structure of Zirconocene Complexes Relevant for Olefin Catalysis: Infrared Fingerprint of the Zr(C5H5)(2)(OH)(CH3CN)(+) Cation in the Gas Phase

Ulrich Lorenz

Cationic zirconocene complexes are active species in Ziegler-Natta catalysis for olefin polymerization. structure and metal-ligand bond strength strongly influence their activity. In the present work, the multiphoton dissociation (IRMPD) spectrum of mass s ...

2010

Interaction of carbon dioxide with Ni(110): A combined experimental and theoretical study

Alfonso Baldereschi

We present a combined experimental and theoretical study of the CO2 interaction with the Ni(110) surface. Photoelectron spectroscopy, temperature-programmed desorption, and high-resolution electron energy loss spectroscopy measurements are performed at dif ...

2007

Trifluoromethyl-substituted phenylsilanes: the regiochemical course of their metalation dictated by buttressing effects

Christophe Heiss

Triethyl[(2-trifluoromethyl)phenyl]silane reacts with the superbasic LIC-KOR mixt. of butyllithium and potassium tert-butoxide exclusively at the 4-position ("meta-metalation") and not at all at the 3-position ("ortho-metalation"). Two further substrates w ...

2006