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
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The role of magnetic fields on the transport and efficiency of aluminum tris(8-hydroxyquinoline) based organic light emitting diodes [PDF]
, 2007 Copyright 2007 AIP Publishing LLC. This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing.
Desai, P +3 more
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Structural Dynamics, 2017 The competition between ultrafast intersystem crossing and internal conversion in benzene, toluene, and p-xylene is investigated with time-resolved photoelectron spectroscopy and quantum chemical calculations.
Anne B. Stephansen, Theis I. Sølling
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Time-resolved gas-phase kinetic and quantum chemical studies of the reaction of silylene with oxygen [PDF]
, 2005 Time-resolved kinetic studies of the reaction of silylene, SiH2, generated by laser flash photolysis of phenylsilane, have been carried out to obtain rate constants for its bimolecular reaction with O-2. The reaction was studied in the gas phase over the
Adamovic, I. +7 more
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Nature Communications, 2022 Here, the authors investigate naphthalimide-based compounds with cold triplet excitons utilized by triplet-triplet annihilation-mediated high-lying reverse intersystem crossing, and realize rate constant of over 109 s−1 with exciton utilization ...
Yanju Luo +14 more
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Kinetic prediction of reverse intersystem crossing in organic donor–acceptor molecules
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
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Ultraviolet irradiation-responsive dynamic ultralong organic phosphorescence in polymeric systems
Nature Communications, 2021 Efficient stimulus-responsive phosphorescence organic materials are attractive, but are extremely rare because of unclear design principles and intrinsically spin-forbidden intersystem crossing.
Yongfeng Zhang +8 more
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Ultrafast Intersystem Crossing in Xanthone from Wavepacket Dynamics [PDF]
Journal of the American Chemical Society, 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. Among them, xanthone (9H-xanthen-9-one) possesses one of the fastest singlet-triplet rates of ~1.5 ps. The exact mechanism of this unusually fast transition is still under debate.
Alías-Rodríguez, Marc +2 more
openaire +3 more sources
Photostereochemistry and Photoaquation Reactions of [Cr(tn)3]3+: Theoretical Studies Show the Importance of Reduced Coordination Conical Intersection Geometries [PDF]
, 2012 We have performed TD-DFT and CASSCF calculations tounderstand the spectroscopy and reactive photochemistry of the [Cr(tn)3]3+complex. Our results show that, after population of a quartet ligand fieldexcited state, the system relaxes by dissociation of a ...
Paterson, Martin, Zurek, Justyna Marlena
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Unveiling the concentration dependent direct triplet formation via singlet fission in a tetracene derivative [PDF]
EPJ Web of Conferences, 2019 Singlet fission is slowed down on diffusional timescales in highly concentrated solutions compared to thin films for a tetracene-like molecule. The underlying mechanism suggests competing intersystem crossing and singlet fission, where in the latter ...
Wollscheid Nikolaus +6 more
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