Measuring Molecular Vibronic Couplings and Dynamics with Two-Dimensional Vibrational-Electronic Spectroscopy

2016 ◽  
Author(s):  
Trevor L. Courtney ◽  
Zachary W. Fox ◽  
Munira Khalil
Keyword(s):  
Electronic Spectroscopy ◽  
Two Dimensional ◽  
Vibronic Couplings

Signatures of Strong Vibronic Coupling Mediating Coherent Charge Transfer in Two-Dimensional Electronic Spectroscopy

2019 ◽  
Vol 74 (8) ◽  
pp. 721-737
Author(s):  
Antonietta De Sio ◽  
Xuan Trung Nguyen ◽  
Christoph Lienau
Keyword(s):  
Charge Transfer ◽  
Organic Photovoltaics ◽  
Vibrational Mode ◽  
Electronic Spectroscopy ◽  
Vibronic Coupling ◽  
Two Dimensional ◽  
Vibrational Motion ◽  
Donor And Acceptor ◽  
Stretching Vibrations ◽  
Vibronic Couplings

AbstractThe role of molecular vibrations for the persistence of quantum coherences, recently observed in photoinduced charge transfer reactions in both biological and artificial energy conversion systems at room temperature, is currently being intensely discussed. Experiments using two-dimensional electronic spectroscopy (2DES) suggest that vibrational motion – and its coupling to electronic degrees of freedom – may play a key role for such coherent dynamics and potentially even for device function. In organic photovoltaics materials, strong coupling of electronic and vibrational motion is predicted, especially for ubiquitous C=C stretching vibrations. The signatures of such strong vibronic couplings in 2DES are, however, debated. Here we analyse the effect of strong vibronic coupling in model simulations of 2DES spectra and dynamics for an electronic dimer coupled to a single high-frequency vibrational mode. This system represents the simplest conceivable model for a prototypical donor–acceptor interface in the active layer of organic solar cells. The vibrational mode is chosen to mimic C=C stretching vibrations with typical large vibronic couplings predicted in organic photovoltaics materials. Our results show that the decisive signatures of strong vibronic coupling mediating coherent charge transfer between donor and acceptor are not only temporally oscillating cross-peaks, but also most importantly characteristic peak splittings in the 2DES spectra. The 2DES pattern thus directly reflects the new eigenstates of the system that are formed by strong mixing of electronic states and vibrational mode.

scholarly journals Exploring size and state dynamics in CdSe quantum dots using two-dimensional electronic spectroscopy

2014 ◽  
Vol 140 (8) ◽  
pp. 084701 ◽  
Author(s):  
Justin R. Caram ◽  
Haibin Zheng ◽  
Peter D. Dahlberg ◽  
Brian S. Rolczynski ◽  
Graham B. Griffin ◽  
...  
Keyword(s):  
Quantum Dots ◽  
Electronic Spectroscopy ◽  
Cdse Quantum Dots ◽  
Two Dimensional

scholarly journals Two-dimensional electronic spectroscopy as a tool for tracking molecular conformations in DNA/RNA aggregates

2018 ◽  
Vol 207 ◽  
pp. 233-250 ◽  
Author(s):  
Javier Segarra-Martí ◽  
Vishal K. Jaiswal ◽  
Ana Julieta Pepino ◽  
Angelo Giussani ◽  
Artur Nenov ◽  
...  
Keyword(s):  
Nucleic Acid ◽  
Ground State ◽  
Electronic Spectra ◽  
Crucial Role ◽  
Electronic Spectroscopy ◽  
Two Dimensional ◽  
Molecular Conformations ◽  
Computational Strategy

A computational strategy to simulate two-dimensional electronic spectra (2DES) is introduced, which allows characterising ground state conformations of flexible nucleobase aggregates that play a crucial role in nucleic acid photochemistry.

scholarly journals Two Dimensional Broadband Electronic Spectroscopy of Photosystem II Core Complexes

2013 ◽  
Vol 104 (2) ◽  
pp. 653a
Author(s):  
Henry D. Wilson ◽  
Franklin D. Fuller ◽  
Charles F. Yocum ◽  
Jennifer P. Ogilvie
Keyword(s):  
Photosystem Ii ◽  
Electronic Spectroscopy ◽  
Two Dimensional

scholarly journals Two-Dimensional Electronic Spectroscopy of a Model Dimer System

2013 ◽  
Vol 41 ◽  
pp. 05032 ◽  
Author(s):  
A. Halpin ◽  
P.J.M. Johnson ◽  
R.S. Murphy ◽  
V.I. Prokhorenko ◽  
R.J.D. Miller
Keyword(s):  
Electronic Spectroscopy ◽  
Two Dimensional ◽  
Model Dimer
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