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Concept

Self-ionization of water

Related publications (30)

Orientation, rotation and solvation of ions in helium nanodroplets

Verónica Oliver Álvarez de Lara

Helium nanodroplets are liquid, finite size, nanoscale helium clusters that have been employed since the 1990s as a matrix for high-resolution spectroscopy of molecules. Spectroscopic studies of ionic species inside helium droplets were not however realise ...

EPFL2019

Effect of the Solvent on the Oxygen Evolution Reaction at the TiO2-Water Interface

Alfredo Pasquarello, Francesco Ambrosio, Patrick Gono

We investigate the solvation effect of water on the overpotentials of the oxygen evolution reaction on rutile TiO2 by applying the thermodynamic integration method on atomistic model interfaces with and without the water molecules. We compare the results a ...

2019

Stability of aqueous electrolytes based on LiFSI and NaFSI

Corsin Battaglia, David Reber

Through a combination of bulk, interface, and interphase effects, water-in-salt electrolytes, employing a high salt concentration, offer a wider electrochemical stability window than traditional dilute aqueous electrolytes. Here we explore chemical stabili ...

2019

UV and IR Spectroscopy of Transition Metal–Crown Ether Complexes in the Gas Phase: Mn2+(benzo-15-crown-5)(H2O)0–2

Thomas Rizzo, Yoshiya Inokuchi

Ultraviolet photodissociation (UVPD) and IR–UV double-resonance spectroscopy are performed for bare and microhydrated complexes of Mn2+(benzo-15-crown-5), Mn2+(B15C5)(H2O)n (n = 0–2), under cold (∼10 K) gas-phase conditions. Density functional theory (DFT) ...

2019

Towards a frustrated Lewis pair-ionic liquid system

Paul Joseph Dyson, Rosario Scopelliti, Gabor Laurenczy, Zhaofu Fei, Felix Daniel Bobbink, Emilia Paunescu, Florian Gérald Abela

An ionic liquid encompassing a bulky tertiary amine was synthesized and used as a dual solvent-reactant for the formation of a frustrated Lewis pair with tris(pentafluorophenyl) borane, forming a pseudo-frustrated Lewis pair-ionic liquid system. The ionic ...

Elsevier2018

Characterizing the Effects of a “Switchable Water” Additive on the Aqueous Solubility of Small Molecules

Paul Joseph Dyson

“Switchable water” is an aqueous solution containing a water‐soluble amine additive that exhibits CO2‐switchable properties, such as large changes in ionic strength, by forming an ammonium bicarbonate salt. Switchable water has been used to reversibly “sal ...

2018

Nuclear Quantum Effects in Sodium Hydroxide Solutions from Neural Network Molecular Dynamics Simulations

Michele Ceriotti

Nuclear quantum effects (NQEs) cause the nuclei of light elements like hydrogen to delocalize, affecting numerous properties of water and aqueous solutions, such as hydrogen-bonding and proton transfer barriers. Here, we address the prototypical case of aq ...

2018

Equilibria and Speciation of Chloramines, Bromamines, and Bromochloramines in Water

Jeremy Samuel Arey, Daniela Trogolo

The stabilities and speciation of the halamines in water are difficult to characterize experimentally. We provide theoretical estimates of aqueous standard free energies of formation for inorganic chloramines, bromamines, and bromochloramines, based on hig ...

Amer Chemical Soc2017

Charge migration and charge transfer in molecular systems

Ursula Röthlisberger, Majed Chergui, Jacques-Edouard Moser, Joël Teuscher, Andrea Cannizzo, Christopher Alexander Arrell, Natalie Renuka Banerji, Elisa Liberatore, Pablo Lopez Tarifa

The transfer of charge at the molecular level plays a fundamental role in many areas of chemistry, physics, biology and materials science. Today, more than 60 years after the seminal work of R. A. Marcus, charge transfer is still a very active field of res ...

2017

Optical imaging of surface chemistry and dynamics in confinement

Sylvie Roke, Halil Ibrahim Okur, Carlos Alberto Macias Romero, Igor Nahálka

We imaged the interfacial structure and dynamics of water in a microscopically confined geometry in three dimensions and on millisecond time scales with a 3D structurally illuminated wide-field second harmonic microscope. Image contrast reports on the orie ...

American Association for the Advancement of Science2017