[CvGmt News] Colloquio della Classe di Scienze prof. Massimo Olivucci ( 18-12-2013)
valeria.giuliani at sns.it
valeria.giuliani at sns.it
Tue Dec 3 11:55:28 CET 2013
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”*
**
**
*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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