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Publications associées (29)

The Mn(VII)-H2O2 oxidation process: Abatement of electron-deficient N-containing organic compounds

Urs von Gunten

Chemical oxidants applied in water treatment are electrophiles, which preferentially attack sites with higher electron density. This typically results in less efficient oxidative abatement of organic compounds with electronwithdrawing substituents. In this ...

Elsevier Science Sa2024

How Forward-Scattering Snow and Terrain Change the Alpine Radiation Balance With Application to Solar Panels

Michael Lehning, Annelen Kahl

Rough terrain in mid- and high latitudes is often covered with highly reflective snow, giving rise to a very complex transfer of incident sunlight. In order to simplify the radiative transfer in weather and climate models, snow is generally treated as an i ...

2021

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

Schiff base ligands derived from 1,2-bis(2 '-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(II) complexes: synthesis, characterization, X-ray structures and computational studies

Rosario Scopelliti

1,2-Bis(2'-nitrophenoxy)-3-R-benzenes {R = H (1), CH3 (2) and OCH3 (3)} have been prepared from the S-N-Ar reaction between 1-fluoro-2-nitrobenzene and 3-R-catechol (aromatic diol), and are then reduced to the corresponding diamines 1,2-bis(2'-aminophenoxy ...

ROYAL SOC CHEMISTRY2021

Charge transfer dynamics in Ar+ + CO

Eduardo Carrascosa Casado

Differential cross sections for the charge transfer reaction between Ar(+)and CO have been measured using three-dimensional velocity map imaging in a crossed beam setup at the two relative collision energies 0.55 and 0.74 eV. We find dominant forward scatt ...

Taylor & Francis2020

Effects of composition and pressure on electronic states of iron in bridgmanite

Philippe Gillet, Arnaud Magrez, Susannah McGregor Dorfman

Electronic states of iron in the lower mantle's dominant mineral, (Mg,Fe,Al)(Fe,Al,Si)O-3 bridgmanite, control physical properties of the mantle including density, elasticity, and electrical and thermal conductivity. However, the determination of electroni ...

MINERALOGICAL SOC AMER2020

Optical absorption properties of metal-organic frameworks: solid stateversusmolecular perspective

Berend Smit, Anne-Clémence Corminboeuf, Ivano Tavernelli, Maria Fumanal Quintana

The vast chemical space of metal and ligand combinations in Transition Metal Complexes (TMCs) gives rise to a rich variety of electronic excited states with local and non-local character such as intra-ligand (IL), metal-centered (MC), metal-to-ligand (MLCT ...

2020

Bi-stable spin-crossover in charge-neutral [Fe(R-ptp)(2)] (ptp=2-(1H-pyrazol-1-yl)-6-(1H-tetrazol-5-yl)pyridine) complexes

Sergio Vela Llausi

Bi-stable charge-neutral iron(II) spin-crossover (SCO) complexes are a class of switchable molecular materials proposed for molecule-based switching and memory applications. In this study, we report on the SCO behavior of a series of iron(II) complexes com ...

2020

Microscopic Picture of the Solvent Reorganization During Electron Transfer to Flavin in Water

Murat Kiliç

The redox potential of molecular species is largely modulated by its molecular environment so that a change of the environment will lead to a different redox potential. However, a detailed molecular picture of reorganization of the environment upon reducti ...

AMER CHEMICAL SOC2019

Assembly of Robust Holmium-Directed 2D Metal-Organic Coordination Complexes and Networks on the Ag(100) Surface

Harald Brune

We describe the formation of lanthanide-organic coordination networks and complexes under ultra-high-vacuum conditions on a clean Ag(100) surface. The structures comprise single Ho atoms as coordination centers and 1,4-benzenedicarboxylate (from terephtali ...

AMER CHEMICAL SOC2018

Charge-transfer and impulsive electronic-to-vibrational energy conversion in ferricyanide: ultrafast photoelectron and transient infrared studies'

Majed Chergui, Christopher Alexander Arrell, José Javier Pancracio Ojeda Andara, Luca Longetti

The photophysics of ferricyanide in H2O, D2O and ethylene glycol was studied upon excitation of ligand-to-metal charge transfer (LMCT) transitions by combining ultrafast photoelectron spectroscopy (PES) of liquids and transient vibrational spectroscopy. Up ...

Royal Society of Chemistry2017

Quantifying Electronic Phenomena in Organic Chromophores

Antonio Prlj

Challenging ground and excited state problems in the chemistry of common organic chromophores are investigated with state-of-the-art quantum chemical methods. We present a comprehensive excited state molecular dynamics analysis of (a) fundamental building ...

EPFL2017

Assemblies of gold nanoparticles at liquid-liquid interfaces : from liquid optics to electrocatalysis

Evgeny Smirnov

The interface between two immiscible liquids, i.e. oil and water, is an extremely attractive scaffold to self-assemble nanoparticles (NP) in arranged films. The liquid-liquid interfaces (LLIs) are defect-free and pristine by the nature, they are transparen ...

EPFL2017

Fluorophores for Excited-State Intramolecular Proton Transfer by an Yttrium Triflate Catalyzed Reaction of Isocyanides with Thiocarboxylic Acids

Jieping Zhu, Qian Wang, Shuo Tong, Shun Zhao

Discovery of new chemical reactivity of a given functional group can often result in innovative synthesis of important chemical entities that possess unprecedented properties. We designed and developed a one-step synthesis of 5-amino-4-carboxamidothiazoles ...

Wiley-Blackwell2017

Water Exchange on [Ln(DO3A)(H2O)2] and [Ln(DTTA–Me)(H2O)2]− Studied by Variable Temperature, Pressure, and Magnetic Field NMR

Lothar Helm, Shima Karimi

Water exchange kinetics of [Ln(L)(H2O)2]x complexes (Ln = Pr, Nd, Dy, Tm, and Yb; L = DO3A and DTTA–Me) were studied by 17O NMR spectroscopy as a function of temperature, pressure, and frequency and by 1H nuclear magnetic relaxation dispersion. Water excha ...

American Chemical Society2016

Synthesis and Structure of Nitride-Bridged Uranium(III) Complexes

Rosario Scopelliti, Marinella Mazzanti, Lucile Sylvie Danielle Chatelain

The reduction of the nitride-bridged diuranium(IV) complex Cs[{U(OSi((OBu)-Bu-t)(3))(3)}(2)(mu-N)] affords the first example of a uranium nitride complex containing uranium in the +III oxidation state. Two nitride-bridged complexes containing the heteromet ...

2016

Quantifying electron transfer reactions in biological systems: what interactions play the major role?

Various biological processes involve the conversion of energy into forms that are usable for chemical transformations and are quantum mechanical in nature. Such processes involve light absorption, excited electronic states formation, excitation energy tran ...

Nature Publishing Group2015

Triphenyltin(IV) adducts of diphosphoryl ligands: structural, electronic and energy aspects from X-ray crystallography and theoretical calculations

Farzaneh Fadaei Tirani, Kurt Schenk

Some triphenyltin(IV) adducts with a family of diphosphoryl ligands, RR'P(O)-X-P(O)RR' (R = OPh, Ph, R' = R, An (aniline)) and X = 1,4-OC6H4O, 1,4-OC6H4NH, 1,4-NHC6H4NH 1,4-(NHCH2)(2)C6H4, 1,3-(NHCH2)(2)C6H4 and piperazine have been synthesized and charact ...

Royal Soc Chemistry2015

Intrachain antiferromagnetic exchange in a 1D branched-chain built of two different copper(II) centres interlinked by end-on azido and phenoxo bridges: electron density map, electrochemical and magnetic properties

Henrik Moodysson Rønnow, Kurt Schenk, Philip Pattison, Krunoslav Prsa, Noore Elahi Shaik, Arash Alahgholipour Omrani

A 1D, end-on azido- and phenoxo-bridged, coordination polymer, Cu-2(mu-NAPPR)(mu(1,1)-N-3)(2) (1), (NAPPR(2-) = 1,3-bis(naphthylideneimino) propane dianion), was synthesized and characterized. The 1D branched-chain is built of two types of slightly di ...

2015

Metal reduction and sporulation in Desulfotomaculum reducens

Elena Cristina Dalla Vecchia

The genera Desulfotomaculum and Clostridium, belonging to the phylum Firmicutes, comprise Gram-positive, low G+C genomic content, anaerobic, spore- forming bacteria. Desulfotomaculum is a metabolically and environmentally versatile genus capable of growing ...

EPFL2014