Excited-State Decay Pathways of Flavin Molecules in Five Redox Forms: The Role of Conical Intersections

2018 ◽  
Vol 122 (40) ◽  
pp. 7954-7961 ◽  
Author(s):  
Yuejie Ai ◽  
Chaofeng Zhao ◽  
Jinlu Xing ◽  
Yang Liu ◽  
Zhangxia Wang ◽  
...  
Keyword(s):  
Excited State ◽  
Conical Intersections ◽  
State Decay ◽  
Redox Forms

scholarly journals Competition between radiative and nonradiative excited state processes in photoluminescent organic molecular crystals

2020 ◽  
Author(s):  
Miguel Rivera ◽  
Ljiljana Stojanovic ◽  
Rachel Crespo Otero
Keyword(s):  
Excited State ◽  
Molecular Crystals ◽  
State Level ◽  
High Energy ◽  
Quantum Yields ◽  
Conical Intersections ◽  
Fluorescence Quantum Yields ◽  
Exciton Coupling ◽  
Organic Molecular Crystals

<p>Organic molecular crystals are attractive materials for luminescent applications due to their promised tunability. However, the link between chemical structure and emissive behaviour is poorly understood due to the numerous interconnected factors which are at play in determining radiative and non-radiative behaviours at the solid state level. In this study, we investigate thirteen luminescent molecular crystals and apply newly implemented tools to study their geometric properties and constituent dimer excitonic coupling values. We then focus on the excited state decay pathways of five of the molecules. The competition between radiative and nonradiative processes was used to rationalise the different fluorescence quantum yields across systems. We found that due to the prevalence of sheet and herringbone packing in organic molecular crystals, the conformational diversity of crystal dimers is limited. Additionally, similarly spaced dimers have exciton coupling values of similar order within a 50 meV interval. Finally, we found that the accessibility of conical intersection geometries was a robust indicator of the role of nonradiative decay in the excited state mechanism of most molecules. The conical intersections all displayed a measure of rotation and puckering, where purely rotational conical intersections in vacuum lead to high energy puckered conical intersections in the crystal phase.</p>

Role of Mode-mode Coupling in Short-time Excited State Decay

2005 ◽  
Vol 55 (5) ◽  
pp. 579-592 ◽  
Author(s):  
Miroslav Mensik ◽  
Stanislav Nespurek
Keyword(s):  
Excited State ◽  
Mode Coupling ◽  
State Decay ◽  
Short Time

Dynamic adjustment of emission from both singlets and triplets: the role of excited state conformation relaxation and charge transfer in phenothiazine derivates

2021 ◽  
Author(s):  
Weidong Qiu ◽  
Xinyi Cai ◽  
Mengke Li ◽  
Liangying Wang ◽  
Yanmei He ◽  
...  
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Intramolecular Charge Transfer ◽  
Dynamic Adjustment ◽  
Twisted Intramolecular Charge Transfer

Dynamic adjustment of emission behaviours by controlling the extent of twisted intramolecular charge transfer character in excited state.

scholarly journals Role of Conical Intersections on the Efficiency of Fluorescent Organic Molecular Crystals

2021 ◽  
Vol 125 (4) ◽  
pp. 1012-1024
Author(s):  
Miguel Rivera ◽  
Ljiljana Stojanović ◽  
Rachel Crespo-Otero
Keyword(s):  
Molecular Crystals ◽  
Conical Intersections ◽  
Organic Molecular Crystals

scholarly journals Revealing the role of excited state proton transfer (ESPT) in excited state hydrogen transfer (ESHT): systematic study in phenol–(NH3)n clusters

2021 ◽  
Author(s):  
Christophe Jouvet ◽  
Mitsuhiko Miyazaki ◽  
Masaaki Fujii
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Systematic Study ◽  
General Model ◽  
Hydrogen Transfer ◽  
Excited State Proton Transfer

A general model of excited state hydrogen transfer (ESHT) which unifies ESHT and the excited state proton transfer (ESPT) is presented from experimental and theoretical works on phenol–(NH3)n. The hidden role of ESPT is revealed.

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