Imperial College London
Alternate

Professor Mike Robb, FRS

Faculty of Natural Sciences, Department of Chemistry

Chair in Chemistry
 
 
 
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Contact

 

+44 (0)20 7594 5757mike.robb Website

 
 
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Location

 

301cMolecular Sciences Research HubWhite City Campus

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Summary

 

Publications

Citation

BibTex format

@article{Robb:2016:10.1063/1.4965436,
author = {Robb, MA},
doi = {10.1063/1.4965436},
journal = {Journal of Chemical Physics},
title = {Charge migration in polycyclic norbornadiene cations: winning the race against decoherence},
url = {http://dx.doi.org/10.1063/1.4965436},
volume = {145},
year = {2016}
}
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RIS format (EndNote, RefMan)

TY  - JOUR
AB  - The  observation  of  electronic  motion  remains  a  key  target  in  the  development  of  the   eld  of  attoscience.However, systems in which long-lived oscillatory charge migration may be observed must be selected carefully,particularly because it has been shown that nuclear spatial delocalization leads to a loss of coherent electrondensity oscillations.  Here we demonstrate electron dynamics in norbornadiene and extended systems wherethe  hole  density  migrates  between  two  identical  chromophores.   By  studying  the  e ect  of  nuclear  motionand delocalization in these example systems, we present the physical properties that must be considered incandidate molecules in which to observe electron dynamics.  Furthermore, we also show a key contribution tonuclear delocalization arises from motion in the branching plane of the cation.  For the systems studied, thedephasing time increases with system size while the energy gap between states, and therefore the frequency ofthe density oscillation, decreases with size (obeying a simple exponential dependence on the inter-chromophoredistance).  We present a system that balances these two e ects and shows several complete oscillations in thespin density before dephasing occurs.
AU  - Robb,MA
DO  - 10.1063/1.4965436
PY  - 2016///
SN  - 1089-7690
TI  - Charge migration in polycyclic norbornadiene cations: winning the race against decoherence
T2  - Journal of Chemical Physics
UR  - http://dx.doi.org/10.1063/1.4965436
UR  - http://hdl.handle.net/10044/1/41280
VL  - 145
ER  -
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