Publications related to Dissociation (chemistry)

Palladium-based supramolecular assemblies: from complex structures to water-soluble anion-receptors

The combination of palladium salts and bipyridyl ligands can lead to the formation of a large variety of coordination complexes, with different shapes and sizes, displaying a very versatile host-guest chemistry. Increasing their structural complexity remai ...

EPFL2024

Gas/Surface reactions probed by reflection absorption infrared spectroscopy

Harmina Vejayan

In my thesis, I present an investigation of the dissociation reactions of gas phase molecules on single crystal metal surfaces studied by a molecular beam in combination with Reflection Absorption Infrared Spectroscopy (RAIRS). Two gas/surface systems were ...

EPFL2023

Probing Water Dissociation and Oxygen Replacement on Partially Oxygen-Covered Cu(111) by Reflection Absorption Infrared Spectroscopy

Rainer Beck, Mateusz Suchodol, Harmina Vejayan

The presence of chemisorbed oxygen on the Cu(111) surface is known to strongly reduce the activation barrier for water dissociation as compared to bare Cu(111). Here, we present direct experimental evidence for the hydrogen abstraction mechanism responsibl ...

2023

Using continuous electrical conductivity measurements to derive major solute concentrations in karst systems

Paolo Benettin

Hydrochemical data of karst springs provide valuable insights into the internal hydrodynamical functioning of karst systems and support model structure identification. However, the collection of high-frequency time series of major solute species is limited ...

WILEY2023

III-V Nitride Semiconductors Deposited At Low Temperature For Photovoltaic Applications

Jonathan Emanuel Thomet

This thesis reports on the study and use of low temperature processes for the deposition of indium gallium nitride (InGaN) thin films in order to alleviate some of the present drawbacks of its monolitic deposition on silicon for photovoltaic applications. ...

EPFL2023

Water Orientation at the Anatase TiO2 Nanoparticle Interface: A Probe of Surface pKa Values

Arianna Marchioro, Marie Bischoff

The acid-base properties of surfaces significantly influence catalytic and (photo)electrochemical processes. Estimation of acid dissociation constants (pKa values) for colloids is commonly performed through electroanalytical techniques or spectroscopic met ...

AMER CHEMICAL SOC2022

Highly Efficient Activation of HCl Dissociation on Au(111) via Rotational Preexcitation

Rainer Beck

The probability for dissociation of molecules on metal surfaces, which often controls the rate of industrially important catalytic processes, can depend strongly on how energy is partitioned in the incident molecule. There are many example systems where th ...

2021

High Sensitivity Detection of a Solubility Limiting Surface Transformation of Drug Particles by DNP SENS

David Lyndon Emsley, Arthur César Pinon, Jasmine Viger-Gravel

We investigate the presence of a surface species for the active pharmaceutical ingredient (API) AZD9496 with dynamic nuclear polarization surface enhanced nuclear spectroscopy (DNP SENS). We show that using DNP we can elucidate the presence of an amorphous ...

2021

Structural elucidation and antibacterial activity of new dialkylstannyl- and chlorodialkylstannyl(IV) 3,4-dihydroisoquinoline-2-(1H)-carbodithioate

Rosario Scopelliti

In extension with growing concern to develop new antimicrobial organometallic drugs, an attempt has been made to synthesize five new antimicrobial organotin(IV) carbodithioates with general formula, Me2SnClL (1), Me2SnL2 (2), Et2SnClL (3), Et2SnL2 (4), Bu2 ...

ELSEVIER2021

Trace Iridium Engineering on Nickel Hydroxide Nanosheets as High-active Catalyst for Overall Water Splitting

Pengzuo Chen, Yun Tong

Designing cost-effective electrocatalysts for electrochemical water splitting to generate the hydrogen energy as a future energy source is pivotal. An excellent catalyst should show high catalytic activity for both hydrogen evolution reaction (HER) and oxy ...

Wiley-VCH Verlag2020

Thermodynamics and kinetics of protonated merocyanine photoacids in water

Rosario Scopelliti, Kay Severin, Farzaneh Fadaei Tirani, Euro Solari, Daniel Maria Busiello, Cristian Pezzato, Stefano Zamuner, Cesare Berton

Metastable-state photoacids (mPAHs) are chemical species whose photo-activated state is long-lived enough to allow for proton diffusion. Liao's photoacid (1) represents the archetype of mPAHs, and is being widely used on account of its unique capability to ...

2020

Systematic model reduction captures the dynamics of extrinsic noise in biochemical subnetworks

Barbara Bravi

We consider the general problem of describing the dynamics of subnetworks of larger biochemical reaction networks, e.g., protein interaction networks involving complex formation and dissociation reactions. We propose the use of model reduction strategies t ...

AMER INST PHYSICS2020

CHD3 Dissociation on the Kinked Pt(210) Surface: A Comparison of Experiment and Theory

Rainer Beck, Ana Gutiérrez González, Helen Jane Chadwick

To be able to simulate activated heterogeneously catalyzed reactions on the edge and corner sites of nanoparticles, a method for calculating accurate activation barriers for the reactions is required. We have recently demonstrated that a semiempirical spec ...

2019

Scattering HCl Molecules from Au(111) and Ag(111) Surfaces

Jan Daniel Geweke

In this thesis, I present an experimental molecular beam surface scattering study of dynamical processes involved when HCl molecules are scattered from Au(111) and Ag(111) surfaces. I investigated vibrational excitation, translational inelasticity and diss ...

EPFL2019

Decisive role of nuclear quantum effects on surface mediated water dissociation at finite temperature

Michele Ceriotti, Mariana Rossi Carvalho

Water molecules adsorbed on inorganic substrates play an important role in several technological applications. In the presence of light atoms in adsorbates, nuclear quantum effects (NQEs) influence the structural stability and the dynamical properties of t ...

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

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

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

Distinct locomotor control and awareness in awake sleepwalkers

Olaf Blanke, Oliver Alan Kannape

Sleepwalkers’ complex nocturnal behaviors have inspired fictional characters from Shakespeare’s Lady Macbeth to Polidori’s Vampyre to Cesare, the homicidal somnambulist in The Cabinet of Dr Caligari. Yet although the underlying pathophysiology of sleepwalk ...

Elsevier2017

Strong Coupling between Nanofluidic Transport and Interfacial Chemistry: How Defect Reactivity Controls Liquid-Solid Friction through Hydrogen Bonding

Gabriele Tocci

Defects are inevitably present in nanofluidic systems, yet the role they play in nanofluidic transport remains poorly understood. Here, we report ab initio molecular dynamics (AIMD) simulations of the friction of liquid water on defective graphene and boro ...

Amer Chemical Soc2016

Quantum state resolved molecular beam reflectivity measurements: CH4 dissociation on Pt(111)

Rainer Beck, Helen Jane Chadwick, Ana Gutiérrez González

The King and Wells molecular beam reflectivity method has been used for a quantum state resolved study of the dissociative chemisorption of CH4 on Pt(111) at several surface temperatures. Initial sticking coefficients were measured for incident CH4 prepare ...

American Institute of Physics2016