Concept

Dissociative substitution

Publications associées (51)

CO2 Binding and Induced Structural Collapse of a Surface-Supported Metal-Organic Network

Klaus Kern, Sebastian Stepanow, Christopher Seiji Kley

Extensive efforts have been directed toward identifying catalytic material composites for efficiently transforming CO2 into valuable chemicals. Within this long-standing scientific challenge, the investigation of model systems is of particular interest to ...

Amer Chemical Soc2016

Investigation of the water exchange mechanism of the Plutonyl(VI) and Uranyl(VI) ions with quantum chemical methods

François Rotzinger, Antonio Prlj

The water exchange reactions of PuO2(OH2)(5) and UO2(OH2)(5) were investigated with density functional theory (DFT) and wave function theory (WFT). Geometries and vibrational frequencies were calculated with DFT and CPCM hydration. The electron ...

Taylor & Francis2015

Properties of mortars produced with reactivated cementitious materials

Ricardo Javier Serpell Carriquiry

The production of reactivated cementitious materials is an option for the recycling of hydrated-cement-rich fines discarded during recycled aggregate production. Reactivation is based on a thermal process where calcium silicate hydrates present in the fine ...

2015

Gd(DOTAlaP): Exploring the Boundaries of Fast Water Exchange in Gadolinium-Based Magnetic Resonance Imaging Contrast Agents

Lothar Helm, Shima Karimi

Here, we describe the synthesis of the single amino acid chelator DOTAlaP and four of its derivatives. The corresponding gadolinium(III) complexes were investigated for their kinetic inertness, relaxometric properties at a range of fields and temperatures, ...

American Chemical Society2014

Structure and Properties of the Precursor/Successor Complex and Transition State of the CrCl2+/Cr2+ Electron Self-Exchange Reaction via the Inner-Sphere Pathway

François Rotzinger

The electron self-exchange reaction CrCl(OH2)5(2+) + Cr(OH2)6(2+) -> Cr(OH2)(6)(2+) + CrCl(OH2)(5)(2+), proceeding via the inner-sphere pathway, was investigated with quantum-chemical methods. Geometry and vibrational frequencies of the precursor/successor ...

American Chemical Society2014

A new type of octacoordinated ternary β-diketonates complexes of terbium and europium has been prepared using the anionic tetradentate terpyridine-carboxylate ligand (L) as a sensitizer of lanthanide luminescence in combination with two β-diketonates ligan ...

2013

Electrochemically Controlled Proton-Transfer-Catalyzed Reactions at Liquid-Liquid Interfaces: Nucleophilic Substitution on Ferrocene Methanol

Hubert Girault, Liang Qiao, Pekka Eero Peljo

The generation of α-ferrocenyl carbocations from ferrocenyl alcohols for SN1 substitution at the water–organic solvent interface is initiated by the transfer of protons into the organic phase. The proton flux, and hence the reaction rate, can be controlled ...

Wiley-Blackwell2013

BODIPY-phosphane as a versatile tool for easy access to new metal-based theranostics

Angela Casini, Olivier Pierre Zava

A new BODIPY-phosphane was synthesized and proved to be a versatile tool for imaging organometallic complexes. It also led to easy access to a new family of theranostics, featuring gold, ruthenium and osmium complexes. The compounds' cytotoxicity was teste ...

Royal Soc Chemistry2013

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A series of novel triazole derivative pyridine-based polyaminopolycarboxylate ligands has been synthesized for lanthanide complexation. This versatile platform of chelating agents combines advantageous properties for both magnetic resonance (MR) and optica ...

2012

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In the objective of developing ligands that simultaneously satisfy the requirements for MRI contrast agents and near-IR emitting optical probes that are suitable for imaging, three isoquinoline-based polyaminocarboxylate ligands, L1, L2 and L3, have been s ...

2012

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