Kinetic prediction of reverse intersystem crossing in organic donor–acceptor molecules [PDF]
Nature Communications, 2020 Understanding and predicting the kinetics of reverse intersystem crossing (RISC) facilitates the design of materials. Here, the authors demonstrate a theoretical expression that reproduces experimental RISC rate constants ranging over five orders of ...
Naoya Aizawa +3 more
doaj +3 more sources
Intersystem crossing in thiobases proceeds by a dark intermediate state [PDF]
EPJ Web of Conferences, 2019 4-thiouracil (4TU) is studied by transient absorption spectroscopy employing sub-20 fs UV-pulses and hybrid QM(CASPT2) / MM(AMBER) computations (static and dynamic), evidencing that, along the photoexcited relaxation pathway, intersystem crossing ...
Teles-Ferreira Danielle Cristina +10 more
doaj +4 more sources
Enhanced intersystem crossing in core-twisted aromatics
Chemical Science, 2017 Core-twisted aromatics exhibit enhanced intersystem crossing upon photoexcitation when compared to their planar analogs.
Kalaivanan Nagarajan +3 more
openaire +4 more sources
Ultrafast intersystem crossing in xanthone from wavepacket dynamics [PDF]
, 2021 Most aromatic ketones containing first-row elements undergo unexpectedly fast intersystem crossing in few tens of picoseconds and a quantum yield close to unity.
Coen, De Graaf +2 more
core +4 more sources
Intersystem Crossing in a Carbazole-Based Room Temperature Phosphorescent Luminophore Investigated by Non-Adiabatic Dynamics. [PDF]
, 2023 The use of phosphorescent luminophore is highly beneficial in diverse high-technological and biological applications. Yet, because of the formally forbidden character of intersystem crossing, the use of heavy metals or atoms is usually necessary to ...
Pelin, Ulukan +3 more
core +1 more source
Don’t help them to bury the light. The interplay between intersystem crossing and hydrogen transfer in photoexcited curcumin revealed by state-hopping dynamics. [PDF]
, 2021 Curcumin is a natural compound extracted from turmeric (curcuma longa), which has shown remarkable antiinflammatory, antibacterial, and possibly anticancert properties.
Antonio, Monari +2 more
core +1 more source
Promoting Reverse Intersystem Crossing in Thermally Activated Delayed Fluorescence via Heavy-Atom Effect [PDF]
, 2022 Thermally activated delayed fluorescence (TADF) molecules are promising for realizing durable organic light-emitting diodes in all color regions. Fast reverse intersystem crossing (RISC) is a way of improving the device lifetime of TADF-based organic ...
Hironori, Kaji +2 more
core +2 more sources
Intersystem crossing dynamics in thionated uracils studied by time-resolved photoelectron spectroscopy: The effect of substituent position [PDF]
EPJ Web of Conferences, 2019 The photophysics of thionated uracils are investigated using time-resolved photoelectron spectroscopy with emphasis on evaluating differences in intersystem crossing dynamics with respect to substituent position.
Ullrich Susanne, Mohamadzade Abed
doaj +1 more source
The role of Duschinsky rotation in intersystem crossing: A case study of uracil [PDF]
Journal of the Serbian Chemical Society, 2011 The intersystem crossing rate for the transition between the lowest excited singlet and triplet electronic states of uracil was studied by means of ab initio methods.
Etinski Mihajlo
doaj +1 more source
Barrier-Free Reverse-Intersystem Crossing by Strong Light-Matter Coupling [PDF]
, 2020 Strong light-matter coupling provides the means to challenge the traditional rules of chemistry. In particular, an energy inversion of singlet and triplet excited states would be fundamentally remarkable since it would violate the classical Hund’s rule ...
Suman, Mallick +3 more
core +3 more sources