Concept

Géométrie moléculaire bipyramidale pentagonale

Publications associées (33)

Significant Improvement of Dye-Sensitized Solar Cell Performance by Small Structural Modification in π-Conjugated Donor-Acceptor Dyes

Shaik Mohammed Zakeeruddin, Jacques-Edouard Moser, Robin Humphry-Baker, Joël Teuscher, Magdalena Anna Marszalek, Mateusz Barnaba Wielopolski, Amaresh Mishra

Two donor-π-acceptor (D-π-A) dyes are synthesized for application in dye- sensitized solar cells (DSSC). These D-π-A sensitizers use triphenylamine as donor, oligothiophene as both donor and π-bridge, and benzothiadiazole (BTDA)/cyanoacrylic acid as accept ...

Wiley-Blackwell2012

A Study of Synthesis & [and] Performance of Flame-Made Semiconducting BiVO4 Nanoparticles for the Photocatalytic Degradation of Aqueous Organic Pollutants

Nikola Castillo

Semiconductor photocatalysis is an Advanced Oxidation Technology that uses light as a source of energy to accelerate the degradation of harmful organic pollutants. Current research addresses the development of photocatalysts capable of harvesting visible l ...

EPFL2011

Redetermination of di-$\mu$-hydroxido- bis[diaquachloridodioxidouranium(VI)] from single-crystal synchrotron data

Philip Pattison

The title compound,

(UO_2)_2Cl_2(OH)_2(H_2O)_4

, was obtained unintentionally as the product of an attempted reaction between uranium(VI) oxide dihydrate,

UO_3·2H_2O

, and hydrogen bis(trifluoromethylsulfonyl)imide

(HTf_2N)

, in an experiment to obtain ...

2010

Time-Resolved Optical and X-Ray Spectroscopy of Rhenium Based Molecular Complexes

Amal El Nahhas

The photocycle of rhenium carbonyl complexes, type facial-[Re(L)(CO)3(diimine)]n [L=halide / n=0, L=4-Ethyl-pyridine (Etpy)- Imidazole (ImH) /n=+1, diimine= bpy , 10- phenanthroline (phen), 4,4'-dimethyl-2,2'-bpy (dmb)] was studied using a set of ultrafast ...

EPFL2010

Intermolecular Interactions as Actors in Energy-Transfer Processes in Lanthanide Complexes with 2,2′-Bipyridine

Jean-Claude Bünzli

A series of lanthanide complexes [LnClx(bpy)y(H2O)z]Cl3-x(H2O)n(EtOH)m (Ln ) Eu, Gd, Tb; x ) 1, 2; y ) 1, 2; z ) 2-4) with different numbers of 2,2′-bipyridine (bpy), chloride ions, and water molecules in the inner coordination sphere were synthesized and ...

2009

What governs nitrogen configuration in substituted aminophosphines?

Matthew Wodrich, Pierre-Yves Morgantini

The trigonal planar geometry of the nitrogen atom in commonly used phosphoramidite ligands is not in line with the traditional valence shell electron pair repulsion (VSEPR) model. In this work, the effects governing nitrogen configuration in several substi ...

2008

Electronic Structure of Surface-supported Bis(phthalocyaninato) terbium(III) Single Molecular Magnets

Klaus Kern

The electronic structure of isolated bis(phthalocyaninato) terbium(ill) molecules, a novel single-molecular-magnet (SMM), supported on the Cu(111) surface has been characterized by density functional theory and scanning tunneling spectroscopy. These studie ...

2008

Towards the Rational Design of MRI Contrast Agents: Electron Spin Relaxation Is Largely Unaffected by the Coordination Geometry of Gadolinium(III)-DOTA-Type Complexes

Lothar Helm, Alain Borel, Loïck Moriggi

Electron-spin relaxation is one of the determining factors in the efficacy of MRI contrast agents. Of all the parameters involved in determining relaxivity it remains the least well understood, particularly as it relates to the structure of the complex. On ...

2008

Simulation of heme using DFT+U: A step toward accurate spin-state energetics

Nicola Marzari, Matteo Cococcioni

We investigate the DFT + U approach as a viable solution to describe the low-lying states of ligated and unligated iron heme complexes. Besides their central role in organometallic chemistry, these compounds represent a paradigmatic case where LDA, GGA, an ...

2007

Mécanismes d'isomérisation et d'échange de ligand de complexes octaédriques labiles de cobalt (II)

Fabrice Riblet

There are only few structural thermodynamic and kinetic studies on labile octahedral complexes available today. Octahedral paramagnetic compounds of cobalt(II) have an optimum electronic relaxation leading to NMR spectra with good resolution. Therefore, th ...

EPFL2007

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Redetermination of di-$\mu$-hydroxido- bis[diaquachloridodioxidouranium(VI)] from single-crystal synchrotron data

Philip Pattison

The title compound,

(UO_2)_2Cl_2(OH)_2(H_2O)_4

, was obtained unintentionally as the product of an attempted reaction between uranium(VI) oxide dihydrate,

UO_3·2H_2O

, and hydrogen bis(trifluoromethylsulfonyl)imide

(HTf_2N)

, in an experiment to obtain ...

2010