Publications associées à Paire de Lewis

Search for the Higgs boson decay to a pair of electrons in proton-proton collisions at √s=13 TeV

Matthias Finger, Konstantin Androsov, Qian Wang, Jan Steggemann, Anna Mascellani, Yiming Li, Varun Sharma, Xin Chen, Arvind Shah, Rakesh Chawla, Matteo Galli, Jian Wang, João Miguel das Neves Duarte, Tagir Aushev, Matthias Wolf, Yi Zhang, Tian Cheng, Yixing Chen, Werner Lustermann, Andromachi Tsirou, Alexis Kalogeropoulos, Andrea Rizzi, Ioannis Papadopoulos, Paolo Ronchese, Hua Zhang, Leonardo Cristella, Siyuan Wang, Jessica Prisciandaro, Tao Huang, David Vannerom, Michele Bianco, Sebastiana Gianì, Sun Hee Kim, Davide Di Croce, Kun Shi, Wei Shi, Abhisek Datta, Jian Zhao, Federica Legger, Gabriele Grosso, Ji Hyun Kim, Donghyun Kim, , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , ,

A Multiconfigurational Wave Function Implementation of the Frenkel Exciton Model for Molecular Aggregates

Francesco Aquilante

We present an implementation of the Frenkel exciton model into the OpenMolcas program package enabling calculations of collective electronic excited states of molecular aggregates based on a multiconfigurational wave function description of the individual ...

AMER CHEMICAL SOC2023

Deuterated TEKPol Biradicals and the Spin-Diffusion Barrier in MAS DNP

David Lyndon Emsley, Federico De Biasi, Yu Rao, Dominik Józef Kubicki, Amrit Venkatesh

The sensitivity of NMR spectroscopy is considerably enhanced by dynamic nuclear polarization (DNP). In DNP polarization is transferred from unpaired electrons of a polarizing agent to nearby proton spins. In solids, this transfer is followed by the transpo ...

Wiley-VCH Verlag GmbH2023

Charge fluctuations in the intermediate-valence ground state of SmCoIn5

Nicola Colonna, Vladimir N. Strocov, Neeraj Kumar

The microscopic mechanism of heavy band formation, relevant for unconventional superconductivity in CeCoIn5 and other Ce-based heavy fermion materials, depends strongly on the efficiency with which f electrons are delocalized from the rare earth sites and ...

NATURE PORTFOLIO2023

Assessing the persistence of chalcogen bonds in solution with neural network potentials

Rubén Laplaza Solanas, Anne-Clémence Corminboeuf, Frédéric Célerse, Veronika Juraskova

Non-covalent bonding patterns are commonly harvested as a design principle in the field of catalysis, supramolecular chemistry, and functional materials to name a few. Yet, their computational description generally neglects finite temperature and environme ...

2022

Recent Advances in Group 14 and 15 Lewis Acids for Frustrated Lewis Pair Chemistry

Shubhajit Das

Frustrated Lewis pairs (FLP) which rely on the cooperative action of Lewis acids and Lewis bases, played a prominent role in the advancement of main-group catalysis. While the early days of FLP chemistry witnessed the dominance of boranes, there is a growi ...

WILEY-V C H VERLAG GMBH2022

Laser photo-detachment combined with Langmuir probe in magnetized electronegative plasma: how the probe size affects the plasma dynamic?

Ivo Furno, Riccardo Agnello

Laser photo-detachment combined with a Langmuir probe (LP) is used to diagnose negative ion properties in electronegative plasmas. The technique relies on the combined use of a laser pulse and an LP. The laser pulse converts negative ions into electron-ato ...

2021

Investigating Tetrel-Based Neutral Frustrated Lewis Pairs for Hydrogen Activation

Shubhajit Das

Tetrel Lewis acids are a prospective alternative to commonly employed neutral boranes in frustrated Lewis pair (FLP) chemistry. While cationic tetrylium Lewis acids, being isolobal and iso(valence)electronic, are a natural replacement to boranes, neutral t ...

AMER CHEMICAL SOC2021

Design, synthesis, reactivity, and magnetic properties of uranium based oxide and nitride complexes

Luciano Barluzzi

The activation of small molecules is a paramount challenge in modern chemistry. The use of cheap and abundant molecules such as N2, H2, CO2, or CO as energy supplies or as precursors for fine chemicals production is highly desirable. In particular, the onl ...

EPFL2021

Revealing the Mechanism of Doping of spiro-MeOTAD via Zn Complexation in the Absence of Oxygen and Light

Ulf Anders Hagfeldt, Yasemin Saygili, Hui-Seon Kim, Bowen Yang, Jiajia Suo

In this study, a new mechanism for doping of spiro-MeOTAD by Zn(TFSI)(2) is revealed, which is completely different from the mechanism induced by LiTFSI. The oxidation of spiro-MeOTAD is facilitated by complexation between the zinc cation and tert-butylpyr ...

AMER CHEMICAL SOC2020

Black phosphorus quantum dots in inorganic perovskite thin films for efficient photovoltaic application

Michael Graetzel, Shaik Mohammed Zakeeruddin, Carole Graetzel, Mingkui Wang, Tong Zhang, Qingwei Li, Han Pan, Li Guan

Black phosphorus quantum dots (BPQDs) are proposed as effective seed-like sites to modulate the nucleation and growth of CsPbI2Br perovskite crystalline thin layers, allowing an enhanced crystallization and remarkable morphological improvement. We reveal t ...

2020

Fast and Sensitive Detection of Paramagnetic Species Using Coupled Charge and Spin Dynamics in Strongly Fluorescent Nanodiamonds

Claudia Esther Avalos

Sensing of a few unpaired electron spins, such as in metal ions and radicals, is a useful but difficult task in nanoscale physics, biology, and chemistry. Single negatively charged nitrogen-vacancy (NV-) centers in diamond offer high sensitivity and spatia ...

2019

In Situ Formation of Frustrated Lewis Pairs in a Water-Tolerant Metal-Organic Framework for the Transformation of CO2

Paul Joseph Dyson, Fatmah Ebrahim, Serhii Shyshkanov, Kyriakos Stylianou, Ngoc Tú Nguyên

Frustrated Lewis pairs (FLPs) consist of sterically hindered Lewis acids and Lewis bases, which provide high catalytic activity towards non-metal-mediated activation of "inert" small molecules, including CO2 among others. One critical issue of homogeneous ...

Wiley-VCH Verlag GmbH2019

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

High-energy electronic interaction in the 3d band of high-temperature iron-based superconductors

Maryna Viazovska, Helmuth Berger

One of the most unique and robust experimental facts about iron-based superconductors is the renormalization of the electronic band dispersion by factor of 3 and more near the Fermi level. Obviously related to the electron pairing, this prominent deviation ...

2017

Experimental and Theoretical Studies of Low-Energy Penning Ionization of NH3, CH3F, and CHF3

Andreas Osterwalder, Justinas Jankunas

We present results from a joint theoretical and experimental study of the low-energy Penning ionization of NH3, CH3F, and CHF3 by metastable Ne(P-3(2)) and He(S-3(1)) atoms. We combine the merged neutral beams experiment, covering a range of collision ener ...

Wiley-Blackwell2016

Long-Range Bonding/Nonbonding Interactions: A Donor Acceptor Resonance Studied by Dynamic NMR

Long-range bonding interactions were evaluated using variable-temperature NMR spectroscopy and suitable 2'-CH2X-substituted phenylpyridines (X = Me, NMe2, OMe, F). It was found that the arylpyridyl rotational barriers were lower when electronegative atoms ...

Amer Chemical Soc2015

Ultrafast Broadband Spectroscopy on Correlated Materials

Andreas Helmut Christian Mann

This thesis deals with femtosecond broadband spectroscopy in the visible regime, which is used to study strongly correlated electron systems. The materials that were studied are high-temperature cuprate superconductors of various dopings and the charge-den ...

EPFL2015

Dynamic nuclear polarisation via the integrated solid effect II: experiments on naphthalene-h(8) doped with pentacene-d(14)

Tim Rolf Eichhorn

In dynamic nuclear polarisation (DNP), also called hyperpolarisation, a small amount of unpaired electron spins is added to the sample containing the nuclear spins, and the polarisation of these unpaired electron spins is transferred to the nuclear spins b ...

Taylor & Francis2014

Low-temperature spin dynamics of a valence bond glass in Ba2YMoO6

Henrik Moodysson Rønnow, Julian Piatek

We carried out ac magnetic susceptibility measurements and muon spin relaxation spectroscopy on the cubic double perovskite Ba2YMoO6, down to 50 mK. Below similar to 1 K the muon relaxation is typical of a magnetic insulator with a spin-liquid type ground ...

Institute of Physics (IoP) and Deutsche Physikalische Gesellschaft2013