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Concept

Brome

Publications associées (26)

Regioselective Nitration and/or Halogenation of Iridabenzofurans through Electrophilic Substitution

Andrew Francis Dalebrook

Regioselective electrophilic substitution reactions of the iridabenzofurans [Ir(C7H5O{OMe-7})(CO)(PPh3)(2)]-[OTf] (1) and IrCl(C7H5O{OMe-7})(PPh3)(2) (2) provide a convenient route to mononitro-, dinitro-, and mixed nitro-/halo- substituted derivatives. Tr ...

Amer Chemical Soc2016

The Role of Bromide in Oxidative Water Treatment

Michèle Bernadette Heeb

Bromide (Br-) levels in fresh waters range from a few ¿gL-1 to several mgL-1. In seawater its concentration is about 67 mgL-1. The goal of this thesis is to assess the fate of bromide during oxidative water treatment and to explore its influence on these t ...

EPFL2016

Molecular bonding with the RPAx: From weak dispersion forces to strong correlation

Nicola Colonna

In a recent paper [Phys. Rev. B 90, 125102 ( 2014)], we showed that the random phase approximation with exchange (RPAx) gives accurate total energies for a diverse set of systems including the high and low density regime of the homogeneous electron gas, th ...

Amer Physical Soc2016

Are reactions between allylpotassiums and halotrimethylsilanes diffusion-controlled?

Eric Masson

The order of reactivity (X = F < Cl < Br < I) determined for the reaction of the model nucleophile pinenylpotassium with halotrimethylsilanes XSi(CH3)(3) in hexane and with halotriisopropylsilanes XSi(iC(3)H(7))(3) in tetrahydrofuran supports a single-step ...

Arkat Usa Inc2015

Formation of disinfection by-products during ballast water treatment with ozone, chlorine, and peracetic acid: influence of water quality parameters

Urs von Gunten

As ocean-going ships begin implementing chemical disinfection to treat ballast water, the potential formation of disinfection by-products (DBPs) is an important issue of concern. This is especially critical since ballast waters are often saline, and the in ...

Royal Soc Chemistry2015

Molecular mechanism of NDMA formation from N,N-dimethylsulfamide during ozonation: Quantum chemical insights into a bromide-catalyzed pathway

Urs von Gunten, Jeremy Samuel Arey, Daniela Trogolo, Michèle Bernadette Heeb, Brijesh Kumar Mishra

During ozonation of drinking water, the fungicide metabolite NN-dimethyIsulfamide (DMS) can be transformed into a highly toxic product, N-nitrosodimethylamine (NDMA). We used quantum chemical computations and stopped-flow experiments to evaluate a chemical ...

Amer Chemical Soc2015