Exploring the Concept of Dimerization-Induced Inter System Crossing: at the Origins of Spin-Orbit Coupling Selection Rules - Archive ouverte HAL Access content directly
Journal Articles Journal of Physical Chemistry B Year : 2021

Exploring the Concept of Dimerization-Induced Inter System Crossing: at the Origins of Spin-Orbit Coupling Selection Rules

Clément Dalinot
  • Function : Author
Philippe Blanchard
Elise Dumont
Olivier Maury
Clément Cabanetos
Cyrille Monnereau
Tangui Le Bahers

Abstract

Singlet-Triplet interconversions and transitions (intersystem crossing, ISC) in organic molecules are at the basis of many important processes in cutting-edge photonic applications (Organic Light Emitting Devices, photodynamic therapy…). Selection rules for these transitions are mainly governed by the Spin-Orbit Coupling (SOC) phenomenon. Although the latter relies on complex relativistic phenomena, theoreticians have, with time, developed increasingly sophisticated and efficient approaches to gain access to a satisfactory evaluation of its magnitude. In this work, we bring a coupled experimental and theoretical analysis of the origin of the unusually large ISC efficiency on a series of dimers that differ by their nature (covalent or supramolecular) as well as the distance and relative orientation of their individual chromophoric components. The dynamical nature of the SOC, sometimes overlooked in literature, is discussed in deep.
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Dates and versions

hal-03407511 , version 1 (28-10-2021)

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Laura Abad Galán, José M Andrés Castán, Clément Dalinot, Pablo Simón Marqués, Joachim Galiana, et al.. Exploring the Concept of Dimerization-Induced Inter System Crossing: at the Origins of Spin-Orbit Coupling Selection Rules. Journal of Physical Chemistry B, 2021, 125 (30), pp.8572-8580. ⟨10.1021/acs.jpcb.1c05082⟩. ⟨hal-03407511⟩
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