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Concept

Spectroscopie vibrationnelle

Publications associées (31)

Interplay of H-Bonds with Aromatics in Isolated Complexes Identifies Isomeric Carbohydrates

Oleg Boyarkine, Vladimir Kopysov, Aleksandr Pereverzev, Ruslan Yamaletdinov

The tremendous isomeric diversity of carbohydrates enables a wide range of their biological functions but makes the identification and study of these molecules difficult. We investigated the ability of intermolecular interactions to communicate structural ...

Wiley-VCH Verlag GmbH2019

Ultrafast nuclear dynamics of the acetylene cation C2H2+ and its impact on the infrared probe pulse induced C-H bond breaking efficiency

Ursula Röthlisberger, Swarnendu Bhattacharyya

The ultrafast nuclear dynamics of the acetylene cation C2H2+ following photoionization of the neutral molecule is investigated using an extreme-ultraviolet pump/infrared probe setup. The observed modulation of the C2H+ fragment ion yield with pump-probe de ...

2019

Stacking transition in rhombohedral graphite

Fabrizio Carbone, Ivan Madan, Tatiana Latychevskaia, Gabriele Berruto

Few-layer graphene (FLG) has recently been intensively investigated for its variable electronic properties, which are defined by a local atomic arrangement. While the most natural arrangement of layers in FLG is ABA (Bernal) stacking, a metastable ABC (rho ...

HIGHER EDUCATION PRESS2019

Bond selective dissociation of methane (CH3D) on the steps and terraces of Pt(211)

Rainer Beck, Ana Gutiérrez González

The dissociative chemisorption of singly deuterated methane (CH3D) has been studied on the steps and terraces of a Pt(211) surface by quantum state resolved molecular beam methods. At incident translational energy (Et) below 50 kJ/mol, CH3D dissociates onl ...

2018

Infrared Spectroscopy as a Probe of Electronic Energy Transfer

Thomas Rizzo, Antonio Prlj, Aleksandra Zabuga, Valeriu Scutelnic

We have combined electronic and vibrational spec- troscopy in a cryogenic ion trap to produce highly resolved, conformer-selective spectra for the ground and excited states of a peptide containing two chromophores. These spectra permit us to determine the ...

2018

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

On-the-Fly Ab Initio Semiclassical Evaluation of Absorption Spectra of Polyatomic Molecules beyond the Condon Approximation

Jiri Vanicek, Tomislav Begusic, Aurélien Kevin Fabrice Patoz

To evaluate vibronic spectra beyond the Condon approximation, we extend the on-the-fly ab initio thawed Gaussian approximation by considering the Herzberg–Teller contribution due to the dependence of the electronic transition dipole moment on nuclear coord ...

2018

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

Adrien Alexis Paul Chauvet

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

Kinetically Trapped Liquid-State Conformers of a Sodiated Model Peptide Observed in the Gas Phase

Thomas Rizzo, Chiara Masellis, Markus Schneider

We investigate the peptide AcPheAla(5)Lyar(+), a model system for studying helix formation in the gas phase, in order to fully understand the forces that stabilize the helical structure. In particular, we address the question of whether the local fixation ...

2017

Understanding the interplay between the solvent and nuclear rearrangements in the negative solvatochromism of a push-pull flexible quinolinium cation

Oliviero Cannelli

A detailed computational characterization of the one-photon absorption spectrum of a 2-((E)-2-[ 2,2']-bithiophenyl-5-yl-vinyl)-1-methyl-quinolinium cation in acetonitrile solution is presented. The main physico-chemical effects (solvation, vibronic progres ...

Royal Soc Chemistry2017

Multilaser Conformer-Selective Spectroscopy of Cold Biomolecular Ions in the Gas Phase

Aleksandr Pereverzev

Proteins and even small peptides play crucial role in almost any biological. Biological activity and functionality of these building blocks of life are determined not only by their primary structure, but also by their 3D orientation â secondary, tertiary ...

EPFL2017