[CvGmt News] Colloquio della Classe di Scienze prof. Massimo Olivucci ( 18-12-2013)

[valeria.giuliani at sns.it]

Colloqui Classe di Scienze


    Mercoledì 18 dicembre 2013

ore 15:00

_Scuola Normale Superiore_

Pisa

(Sala Stemmi)

*__*

*Prof. **Massimo Olivucci**
*/Chemistry Department,Bowling Green State University,Bowling Green, OH 
43403 (USA)
Dipartimento di Biotechnologie, Chimica e Farmacia, Università degli 
Studi di Siena, 53100 Siena (Italy)/**


Terrà un seminario dal titolo:

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*“From Computational Photobiology to the Design of Vibrationally 
Coherent Molecular Devices and Motors”*


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*Abstract: *
In the past multi-configurational quantum chemical computations coupled 
with molecular mechanics force fields have been employed to investigate 
spectroscopic, thermal and photochemical properties of visual pigments.
Here we show how the same computational technology can nowadays be used 
to design, characterize and ultimately, prepare light-driven molecular 
switches which mimics the photophysics of the visual pigment rhodopsin 
(Rh) displayed in Figure A. When embedded in the protein cavity the 
chromophore of Rh undergoes an ultrafast and coherent 
photoisomerization. In order to design a synthetic chromophore 
displaying similar properties in common solvents, we recently focused on 
indanylidene-pyrroline (NAIP) systems.We found that these systems 
display light-induced ground state coherent vibrational (Figure B) 
motion similar to the one detected in Rh. Semiclassical trajectories 
provide a mechanistic description of the structural changes associated 
to the observed coherent motion which is shown to be ultimately due to 
periodic changes in the π-conjugation.

Tutti gli interessati sono invitati a partecipare.

Classe di Scienze

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