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Concept

Multiplicité de spin

Publications associées (24)

Symmetry-Induced Singlet-Triplet Inversions in Non-Alternant Hydrocarbons

Anne-Clémence Corminboeuf, Jacob Terence Blaskovits, Marc Hamilton Folkmann Garner

Molecules with inversion of the singlet and triplet excited-state energies are highly promising for the development of organic light-emitting diodes (OLEDs). To date, azaphenalenes are the only class of molecules where these inversions have been identified ...

Wiley-VCH Verlag GmbH2023

Double-bond delocalization in non-alternant hydrocarbons induces inverted singlet-triplet gaps

Anne-Clémence Corminboeuf, Jacob Terence Blaskovits, Marc Hamilton Folkmann Garner

Molecules where the first excited singlet state is lower in energy than the first excited triplet state have the potential to revolutionize OLEDs. This inverted singlet-triplet gap violates Hund's rule and currently there are only a few molecules which are ...

ROYAL SOC CHEMISTRY2023

Double-bond delocalization in non-alternant hydrocarbons induces inverted singlet-triplet gaps

Anne-Clémence Corminboeuf, Jacob Terence Blaskovits, Marc Hamilton Folkmann Garner

ROYAL SOC CHEMISTRY2023

Two-particle azimuthal correlations in γp interactions using pPb collisions at √sNN=8.16 TeV

Jian Wang, Matthias Finger, Qian Wang, Yiming Li, João Miguel das Neves Duarte, Matthias Wolf, Varun Sharma, Yi Zhang, Tian Cheng, Yixing Chen, Alexis Kalogeropoulos, Ioannis Papadopoulos, Hua Zhang, Siyuan Wang, Jessica Prisciandaro, Peter Hansen, Xin Chen, Michele Bianco, Sebastiana Gianì, Davide Di Croce, Arvind Shah, Wei Sun, Jian Zhao, Rakesh Chawla, Jan Steggemann, Konstantin Androsov, Federica Legger, Bandeep Singh

The first measurements of the Fourier coefficients (V-n Delta) of the azimuthal distributions of charged hadrons emitted from photon-proton (gamma p) interactions are presented. The data are extracted from 68.8nb(-1) of ultra-peripheral proton-lead (pPb) c ...

Elsevier2023

Single molecule fluorescence and phosphorescence studies using a scanning tunneling microscope

Abhishek Grewal

This thesis investigates novel single-molecule luminescence phenomena at their inherent, sub-molecular length scale. The microscopic understanding of luminescence processes will be crucial for the continued improvement of organic optoelectronic and semicon ...

EPFL2022

Photochemical oxidation of phenols and anilines mediated by phenoxyl radicals in aqueous solution

Urs von Gunten, Stephanie Christa Remke

Reactive intermediates formed upon irradiation of chromophoric dissolved organic matter (CDOM) contribute to the degradation of various organic contaminants in surface waters. Besides well-studied "short-lived" photo oxidants, such as triplet state CDOM (3 ...

PERGAMON-ELSEVIER SCIENCE LTD2022

A general framework for non-exponential delayed fluorescence and phosphorescence decay analysis, illustrated on Protoporphyrin IX

Georges Wagnières, Jaroslava Joniová, Emmanuel Louis Arthur Gerelli, Aurelien Stephen Arnaud Gregor

Delayed fluorescence (DF) is a long-lived luminescence process used in a variety of applications ranging from oxygen sensing in biological tissues to organic Light Emitting Diodes. In common cases, DF results from the deexcitation of the first excited trip ...

2020

Superexchange mechanism and quantum many body excitations in the archetypal di-Cu oxo-bridge

Cédric Weber, Edward Baxter Linscott

The hemocyanin protein binds and transports molecular oxygen via two copper atoms at its core. The singlet state of the Cu2O2 core is thought to be stabilised by a superexchange pathway, but detailed in situ computational analysis is complicated by the mul ...

NATURE PUBLISHING GROUP2020

Photoinduced disinfection in sunlit natural waters: Measurement of the second order inactivation rate constants between E-coli and photogenerated transient species

César Pulgarin, Stefanos Giannakis

This work uncovers the implications of the estimation of exogenous inactivation rates for E. coli after the initial lag phase, and presents a strategy for the determination of the second-order inactivation rate constants (k2nd) of these bacteria with relev ...

PERGAMON-ELSEVIER SCIENCE LTD2018

Conservation of vibrational coherence in ultrafast electronic relaxation: The case of diplatinum complexes in solution

Majed Chergui, Gerald Auböck, Dominik Kinschel, Roberto Monni

We report the results of ultrafast transient absorption studies of tetrakis(l-pyrophosphito) diplatinate(II), Pt-2(mu-P(2)O(5)H2)(4) (Pt(pop)) and its perfluoroborated derivative Pt-2(mu-P2O5(BF2)(4) (Pt(pop-BF2)) in water and acetonitrile upon e ...

Elsevier2017

Investigations of the non-adiabatic photophysics of Cu(I)-phenanthroline complexes

Gloria Capano

Cu(I)-phenanthrolines are an important class of metal-organic molecules that exhibits much promise for solar energy harvesting and solar-driven catalysis applications. Although many experimental studies have been performed calling for high-level simulation ...

EPFL2016

Origin of the Spin-Orbital Liquid State in a Nearly J=0 Iridate Ba3ZnIr2O9

Henrik Moodysson Rønnow, Martin Mansson, Paul Gregory Freeman

We show using detailed magnetic and thermodynamic studies and theoretical calculations that the ground state of Ba3ZnIr2O9 is a realization of a novel spin-orbital liquid state. Our results reveal that Ba3ZnIr2O9 with Ir5+ (5d(4)) ions and strong spin-orbi ...

2016

Lifetimes of long-lived states in inhomogeneous magnetic fields

Geoffrey Bodenhausen, Srinivas Chinthalapalli

Long-lived states (LLS), also known as singlet states, have been widely studied in the last decade. So far, LLS have only been observed in homogeneous magnetic fields, which preclude applications to many biological samples that are inherently inhomogeneous ...

Elsevier2015

Nonadiabatic dynamics with intersystem crossings: A time-dependent density functional theory implementation

Ivano Tavernelli

In this work, we derive a method to perform trajectory-based nonadiabatic dynamics that is able to describe both nonadiabatic transitions and intersystem crossing events (transitions between states of different spin-multiplicity) at the same level of theor ...

Amer Inst Physics2015

Theory And Practice Of Uncommon Molecular Electronic Configurations

Anne-Clémence Corminboeuf, Ganna Gryn'ova

The electronic conﬁguration of the molecule is the foundation of its structure and reactivity. The spin state is one of the key characteristics arising from the ordering of electrons within the molecule’s set of orbitals. Organic molecules that have open-s ...

Wiley-Blackwell2015

Photobleaching Kinetics and Time-Integrated Emission of Fluorescent Probes in Cellular Membranes

Daniel Sage

Since the pioneering work of Hirschfeld, it is known that time-integrated emission (TiEm) of a fluorophore is independent of fluorescence quantum yield and illumination intensity. Practical implementation of this important result for determining exact prob ...

Mdpi Ag2014

Fragmentation mechanism of UV-excited peptides in the gas phase

Thomas Rizzo, Oleg Boyarkine, Michael Zachary Kamrath, Aleksandra Zabuga

We present evidence that following near-UV excitation, protonated tyrosine- or phenylalanine–containing peptides undergo intersystem crossing to produce a triplet species. This pathway competes with direct dissociation from the excited electronic state and ...

American Institute of Physics2014

High proton spin polarization with DNP using the triplet state of pentacene-d14

Tim Rolf Eichhorn

The proton spins in a large naphthalene single crystal have been very efficiently polarized using optically excited triplet states of fully deuterated pentacene (C22D14) guest molecules. In a field of 0.3 T a proton polarization of 0.50 has been achieved. ...

Elsevier2013

Quantum dynamics study of the competing ultrafast intersystem crossing and internal conversion in the "channel 3" region of benzene

Thomas James Penfold

Time-resolved photoelectron spectroscopy can obtain detailed information about the dynamics of a chemical process on the femtosecond timescale. The resulting signal from such detailed experiments is often difficult to analyze and therefore theoretical calc ...

American Institute of Physics2012

Antibonding ground state in photonic crystal molecules

Laurent Balet

We employ a far-field analysis of the angular emission pattern to experimentally assess the symmetry of localized modes in coupled photonic-crystal cavities. We demonstrate that the spatial distribution of localized modes in photonic-crystal nanocavities m ...

2012