CM seminar - Tuesday, 9 April at 3:00 p.m.

[luca grisanti]

Tuesday, 9 April at 3:00 p.m.
ICTP - Oppenheimer Meeting Room, 2nd fl., Leonardo Building

Prof. Anna Painelli
Dipartimento di Scienze Chimiche, della Vita e della Sostenibilità
Ambientale,
Università degli Studi di Parma, Italy


RESONANT-ENERGY TRANSFER IN REAL TIME

Intramolecular charge transfer (CT) is the key phenomenon in a variety of
dyes that find use in OLED, organic solar cells and whose large nonlinear
optical responses are exploited in bioimaging, nanofabrication, etc. The
large nonlinearity of the responses of these materials shows up with a
large and nontrivial sensitivity to the local environment. The relevant
physics of CT dyes is well captured by so-called essential state models
that quantitatively reproduce their steady-state and time-resolved linear
and non-linear optical, accounting for vibrational coupling and polar
solvation and its dynamics [1,2]. Intermolecular interactions can also
quite naturally be accounted for in essential state models to address
energy transfer phenomena [3] and excitonic effects in molecular aggregates
[4].
Recently, essential state model have been applied to define a dynamical,
non-adiabatic model for Resonance Energy Transfer (RET) [5]. Specifically,
we consider two dyes, an energy donor (D) and an energy acceptor (A). Each
dye corresponds to a push-pull chromophore, described in terms of two
electronic states coupled to a single effective vibration. Accounting for
dissipation phenomena within the Redfield approach, we follow the real time
dynamics of RET from the excited D towards A. Moreover, a newly derived
multistate Redfield-Smoluchowski equation is used to investigate how the
dynamical disorder, induced by polar solvation, affects RET.

References:
[1] F. Terenziani, A. Painelli, Phys. Chem. Chem. Phys., 2015,17,
13074-13081 and references therein.
[2]S. A. Kurhuzenkau, et al. Phys.Chem.Chem.Phys., 2016, 18, 12839, and
references therein.
[3] C. Sissa, et al. Phys. Chem. Chem. Phys., 2011, 13, 12734–12744
[4] S. Sanyal, et al. Phys.Chem.Chem.Phys., 2017, 19, 24979
[5] F. Di Maiolo, A. Painelli, J. Chem. Theory Comput. 2018, 14, 5339−5349