Publications related to Jablonski diagram

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

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

Ultrafast Intersystem Crossing and Structural Dynamics of [Pt(ppy)(mu-(t)Bu(2)pz)](2)

Majed Chergui, Lars-Hendrik Mewes, Rebecca Ann Ingle

Intersystem crossing (ISC) rates of transition-metal complexes are determined by the complex interplay of a molecule's electronic and structural dynamics. To broaden our understanding of these key factors, we investigate the case of the prototypical d(8)-d ...

2020

Ultrafast Photoelectron and Optical Spectroscopies of Photoinduced Processes in Molecular Systems in Solution

Luca Longetti

Investigating molecular excitations with femtosecond time resolution is of pivotal importance to understand the out-of-equilibrium processes taking place in molecular systems upon light absorption. The photochemistry of solvated species is heavily determin ...

EPFL2020

Direct Observation of Aggregation-Induced Emission Mechanism

Anne-Clémence Corminboeuf, Antonio Prlj, Kun-Han Lin, Han Han

The mechanism of aggregation-induced emission, which overcomes the common aggregation-caused quenching problem in organic optoelectronics, is revealed by monitoring the real time structural evolution and dynamics of electronic excited state with frequency ...

Wiley-VCH Verlag GmbH2020

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

Non-equilibrium dynamics of di-platinum complexes and molecular dyes in solution: Insights from transient absorption and two-dimensional Fourier transform spectroscopy

Lars-Hendrik Mewes

Unraveling the interplay between electronic- and vibrational degrees of freedom on the earliest time scales of physical, chemical and biological processes is crucial to gaining insight into the mechanisms that govern the world around us, since it is during ...

EPFL2019

Crossed Molecular Beams and Theoretical Studies of the O(P-3)+1,2-Butadiene Reaction: Dominant Formation of Propene plus CO and Ethylidene plus Ketene Molecular Channels

Silvia Tanteri, Adriana Caracciolo

Detailed understanding of the mechanism of the combustion relevant multichannel reactions of O(P-3) with unsaturated hydrocarbons (UHs) requires the identification of all primary reaction products, the determination of their branching ratios and assessment ...

CHINESE PHYSICAL SOC2019

Efficient intersystem crossing in 2-aminopurine riboside probed by femtosecond time-resolved transient vibrational absorption spectroscopy

Rebecca Ann Ingle, Hugo Jean Baptiste Marroux

The photophysical dynamics of 2-aminopurine riboside (2APr) in CHCl3 have been studied following excitation at (pump) = 310 nm by means of femtosecond transient vibrational absorption spectroscopy (TVAS) aided by quantum chemical density functional theory ...

ROYAL SOC CHEMISTRY2018

Ultrafast dynamics of the photo-excited hemes b and c(n) in the cytochrome b(6)f complex

Adrien Alexis Paul Chauvet, Rachna Agarwal

The dynamics of hemes b and c(n) within the cytochrome b(6)f complex are investigated by means of ultrafast broad-band transient absorption spectroscopy. On the one hand, the data reveal that, subsequent to visible light excitation, part of the b hemes und ...

Royal Society of Chemistry2017

TDDFT-Based Spin-Orbit Couplings of 0D, 1D, and 2D Carbon Nanostructures: Static and Dynamical Effects

Ivano Tavernelli

Carbon nanostructures (CNS) constitute an important class of materials derived from graphene that share remarkable photophysical and photochemical properties of potential interest for a number of technological applications, ranging from electron transport ...

Amer Chemical Soc2017

Fluorescence Quenching in BODIPY Dyes: the Role of Intramolecular Interactions and Charge Transfer

Anne-Clémence Corminboeuf, Antonio Prlj, Laurent Alexis Clément Vannay

The fluorescence properties of the BODIPY dye and its two meso-substituted derivatives, tert-butyl- and phenyl-BODIPY, are rationalized. The non emissive behavior of the latter two are attributed to the energetically accessible low-lying conical intersecti ...

Wiley-Blackwell2017

Quantifying Electronic Phenomena in Organic Chromophores

Antonio Prlj

Challenging ground and excited state problems in the chemistry of common organic chromophores are investigated with state-of-the-art quantum chemical methods. We present a comprehensive excited state molecular dynamics analysis of (a) fundamental building ...

EPFL2017

UV and IR Spectroscopy of Cryogenically Cooled, Lanthanide-Containing Ions in the Gas Phase

Thomas Rizzo, Yoshiya Inokuchi

We measure UV and IR spectra in the gas phase for EuOH+, EuCl+, and TbO+ ions, which are produced by an electrospray ionization source and cooled to similar to 10 K in a cold, 22-pole ion trap. The UV photodissociation (UVPD) spectra of these ions show a n ...

American Chemical Society2017

Dual Luminescence, Interligand Decay, and Nonradiative Electronic Relaxation of Cyclometalated Iridium Complexes in Solution

Majed Chergui, Andrea Cannizzo, Enrico Pomarico, Olivier Christian Bräm, Mahsa Silatani

Femtosecond broadband photoluminescence studies are presented for Ir(ppy)(3) (Ir1), Ir(ppy)(2)(pic) (Ir2), Ir(ppy)(2)(bpy)(PF6) (Ir3), Ir(ppz)(3) (Ir4), and Ir(ppz)(2)dipy (Ir5) (where ppy = 2-phenylpyridine, pic = picolinate, bpy = 2,2'-bipyridine, ppz = ...

American Chemical Society2016

State-to-state scattering of CH₄ from Ni(111) and Gr/Ni(111)

Maarten Eduard van Reijzen

In this thesis, I describe the design and implementation of the first state-to-state surface scattering experiments for methane from clean single crystalline surfaces in ultrahigh vacuum. The experiments use infrared laser pumping to prepare the incident C ...

EPFL2016

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

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

Ultrafast Photophysics of Transition Metal Complexes

Majed Chergui

CONSPECTUS: The properties of transition metal complexes are interesting not only for their potential applications in solar energy conversion, OLEDs, molecular electronics, biology, photochemistry, etc. but also for their fascinating photophysical properti ...

American Chemical Society2015

Time-resolved X-ray and Optical Studies of Metalloproteins and Iridium Complexes

Mahsa Silatani

A wide variety of physicochemical processes at a molecular level, in particular charge or energy transfer, electronic and vibrational relaxation, are at the origin of biological functionality of proteins and organometallic compounds. The work reported in t ...

EPFL2015