Publications related to Vibronic spectroscopy

The Negligible Role of C-H Stretch Excitation in the Physisorption of CH4 on Pt(111)

Rainer Beck, Li Chen, Helen Jane Chadwick, Hirokazu Ueta

We report a molecular beam study of the effect of vibrational excitation on the physisorption of methane on a Pt(111) surface. Our experiments use a continuous molecular beam of CH4, prepared in its antisymmetic C-H stretch mode ν3 by infrared laser pumpin ...

American Chemical Society2015

Ligand-Centred Fluorescence and Electronic Relaxation Cascade at Vibrational Time Scales in Transition-Metal Complexes

Majed Chergui, Enrico Pomarico, Mahsa Silatani

Using femtosecond-resolved photoluminescence up-conversion, we report the observation of the fluorescence of the high-lying ligand-centered (LC) electronic state upon 266 nm excitation of an iridium complex, Ir(ppy)(3), with a lifetime of 70 +/- 10 fs. It ...

Amer Chemical Soc2015

Spectroscopic studies of kinetically trapped conformations in the gas phase: the case of triply protonated bradykinin

Thomas Rizzo, Liudmila Voronina

Understanding the relation between the gas-phase structure of biological molecules and their solution-phase structure is important when attempting to use gas-phase techniques to address biologically relevant questions. Directly after electrospray ionizatio ...

Royal Soc Chemistry2015

On-the-fly ab initio semiclassical dynamics: Identifying degrees of freedom essential for emission spectra of oligothiophenes

Jiri Vanicek, Miroslav Sulc, Marius Wehrle

Vibrationally resolved spectra provide a stringent test of the accuracy of theoretical calculations. We combine the thawed Gaussian approximation (TGA) with an on-the-fly ab initio (OTF-AI) scheme to calculate the vibrationally resolved emission spectra of ...

American Institute of Physics2014

Vibrationally Promoted Dissociation of Water on Ni(111)

Rainer Beck, Phil Morten Hundt

Water dissociation on transition-metal catalysts is an important step in steam reforming and the water-gas shift reaction. To probe the effect of translational and vibrational activation on this important heterogeneous reaction, we performed state-resolved ...

Amer Assoc Advancement Science2014

Resonant-Enhanced Spectroscopy of Molecular Rotations with a Scanning Tunneling Microscope

Harald Brune, François Patthey, Donat Fabian Natterer

We use rotational excitation spectroscopy with a scanning tunneling microscope to investigate the rotational properties of molecular hydrogen and its isotopes physisorbed on the surfaces of graphene and hexagonal boron nitride (h-BN), grown on Ni(111), Ru( ...

Amer Chemical Soc2014

Ultrafast electronic and vibrational relaxations in mixed-ligand dithione-dithiolato Ni, Pd, and Pt complexes

Majed Chergui, Frank van Mourik, Andrea Cannizzo, Ahmad Odeh

Ultrafast excited-state dynamics of planar Pt, Pd, and Ni dithione-dithiolato complexes were investigated by transient absorption spectroscopy on the femtosecond-picosecond timescale. All studied complexes show a common photobehaviour, although individual ...

Royal Society of Chemistry2014

How to remove the spurious resonances from ring polymer molecular dynamics

Michele Ceriotti, Mariana Rossi Carvalho

Two of the most successful methods that are presently available for simulating the quantum dynamics of condensed phase systems are centroid molecular dynamics (CMD) and ring polymer molecular dynamics (RPMD). Despite their conceptual differences, practical ...

Amer Inst Physics2014

The nature of vertical excited states of dyes containing metals for DSSC applications: insights from TD-DFT and density based indexes

Eric Albert Georges Bremond

Transition metal complexes, typically Ru-based complexes, are the most efficient dyes used in dye-sensitized solar cells. The absorption spectra of these molecules generally involve numerous electronic transitions, which are not equivalent for the conversi ...

Royal Soc Chemistry2014

Chat with Graph Search

Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.

DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.

Vibronic spectroscopy

The Negligible Role of C-H Stretch Excitation in the Physisorption of CH4 on Pt(111)

Ligand-Centred Fluorescence and Electronic Relaxation Cascade at Vibrational Time Scales in Transition-Metal Complexes

Spectroscopic studies of kinetically trapped conformations in the gas phase: the case of triply protonated bradykinin

On-the-fly ab initio semiclassical dynamics: Identifying degrees of freedom essential for emission spectra of oligothiophenes

Vibrationally Promoted Dissociation of Water on Ni(111)

Characterization of the quasi-one-dimensional compounds delta-(EDT-TTF-CONMe2)(2)X, X=AsF6 and Br by vibrational spectroscopy and density functional theory calculations

Resonant-Enhanced Spectroscopy of Molecular Rotations with a Scanning Tunneling Microscope

Ultrafast electronic and vibrational relaxations in mixed-ligand dithione-dithiolato Ni, Pd, and Pt complexes

How to remove the spurious resonances from ring polymer molecular dynamics

The nature of vertical excited states of dyes containing metals for DSSC applications: insights from TD-DFT and density based indexes

Graph Chatbot

Chat with Graph Search

Ligand-Centred Fluorescence and Electronic Relaxation Cascade at Vibrational Time Scales in Transition-Metal Complexes

On-the-fly ab initio semiclassical dynamics: Identifying degrees of freedom essential for emission spectra of oligothiophenes

How to remove the spurious resonances from ring polymer molecular dynamics

Characterization of the quasi-one-dimensional compounds delta-(EDT-TTF-CONMe2)(2)X, X=AsF6 and Br by vibrational spectroscopy and density functional theory calculations

Resonant-Enhanced Spectroscopy of Molecular Rotations with a Scanning Tunneling Microscope

The Negligible Role of C-H Stretch Excitation in the Physisorption of CH4 on Pt(111)

Vibrationally Promoted Dissociation of Water on Ni(111)

Ultrafast electronic and vibrational relaxations in mixed-ligand dithione-dithiolato Ni, Pd, and Pt complexes

Spectroscopic studies of kinetically trapped conformations in the gas phase: the case of triply protonated bradykinin