Predicting Dexter Energy Transfer Interactions from Molecular Orbital Overlaps

Bai, Shuming; Zhang, Peng; Beratan, David N.

doi:10.1021/acs.jpcc.0c06694

Cited by 22 publications

(24 citation statements)

References 32 publications

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“…The FRET process is basically an emission light-sensitive dipole-dipole interaction, which requires large spectral overlap between the absorption spectrum of the final emitter and the emission spectrum of TADF material 14 , 15 . While the DET is a direct electron-exchange process and demands a short range of distance for achieving the molecular orbital overlapping 16 , 17 . Since the DET is an energy loss process, many strategies were implemented to alleviate this DET process without harming FRET efficiency.…”

Section: Introductionmentioning

confidence: 99%

Efficient pure blue hyperfluorescence devices utilizing quadrupolar donor-acceptor-donor type of thermally activated delayed fluorescence sensitizers

et al. 2023

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The hyperfluorescence (HF) system has drawn great attention in display technology. However, the energy loss mechanism by low reverse intersystem crossing rate (kRISC) and the Dexter energy transfer (DET) channel is still challenging. Here, we demonstrate that this can be mitigated by the quadrupolar donor-acceptor-donor (D-A-D) type of thermally activated delayed fluorescence (TADF) sensitizer materials, DBA-DmICz and DBA-DTMCz. Further, the HF device with DBA-DTMCz and ν-DABNA exhibited 43.9% of high maximum external quantum efficiency (EQEmax) with the Commission Internationale de l'Éclairage coordinates of (0.12, 0.16). The efficiency values recorded for the device are among the highest reported for HF devices. Such high efficiency is assisted by hindered DET process through i) high kRISC, and ii) shielded lowest unoccupied molecular orbital with the presence of two donors in D-A-D type of skeleton. Our current study provides an effective way of designing TADF sensitizer for future HF technology.

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Section: Introductionmentioning

confidence: 99%

Efficient pure blue hyperfluorescence devices utilizing quadrupolar donor-acceptor-donor type of thermally activated delayed fluorescence sensitizers

et al. 2023

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“…[260,261] DET occurs between singlet-singlet states or triplet-triplet states of hosts and dopants by an electronexchange process that depends on the molecular orbital overlaps and the spin states; therefore DET generally happens within < 1 nm. [262] FRET occurs by longrange dipole-dipole interaction with an inter molecular distance range of <10 nm. [263,264] The distance (r) between host donor and dopant acceptor determines the energy transfer rate (k T ) as…”

Section: Host-dopant Combination In Eml For Soledsmentioning

confidence: 99%

Advances in Solution‐Processed OLEDs and their Prospects for Use in Displays

et al. 2023

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This review outlines problems and progress in development of solution‐processed organic light‐emitting diodes (SOLEDs) in industry and academia. Solution processing has several advantages such as low consumption of materials, low‐cost processing, and large‐area manufacturing. However, use of a solution process entails complications, such as the need for solvent resistivity and solution‐processable materials, and yields SOLEDs that have limited luminous efficiency, severe roll‐off characteristics, and short lifetime compared to OLEDs fabricated using thermal evaporation. These demerits impede production of practical SOLED displays. This review outlines the industrial demands for commercial SOLEDs and the current status of SOLED development in industries and academia, and presents research guidelines for the development of SOLEDs that have high efficiency, long lifetime, and good processability to achieve commercialization.

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“…120 The Dexter energy transfer coupling is generally mediated by direct two-species coupling (D*A → DA*) and sequential one-species superexchange couplings or electron transfer: D*A → D + A − → DA* and D*A → D − A + → DA*. 122 The formalism for DET in terms of the rate constant of electron exchange can be expressed as exponential decay by eq 4: 120…”

Section: Design and Mechanism Of Qds Energy Transfermentioning

confidence: 99%

“…On the other hand, the DET process developed by David L. Dexter in 1953 is determined by short-range intermolecular orbital overlap and proceeds via an electron exchange process between the donor/acceptor within a relatively shorter distance (1–2 nm) . The Dexter energy transfer coupling is generally mediated by direct two-species coupling (D*A → DA*) and sequential one-species superexchange couplings or electron transfer: D*A → D + A – → DA* and D*A → D – A + → DA* . The formalism for DET in terms of the rate constant of electron exchange can be expressed as exponential decay by eq : k DET = K j e − 2 r / r 0 DET, being rooted in electron exchange, relies on the K orbital interactions, r 0 van der Waals radii of the donor–acceptor, and j spectral overlap.…”

Section: Design and Mechanism Of Qds Energy Transfermentioning

confidence: 99%

Colloidal Quantum Dots as an Emerging Vast Platform and Versatile Sensitizer for Singlet Molecular Oxygen Generation

Khan,

Brito

et al. 2023

ACS Omega

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Singlet molecular oxygen ( 1 O 2 ) has been reported in wide arrays of applications ranging from optoelectronic to photooxygenation reactions and therapy in biomedical proposals. It is also considered a major determinant of photodynamic therapy (PDT) efficacy. Since the direct excitation from the triplet ground state ( 3 O 2 ) of oxygen to the singlet excited state 1 O 2 is spin forbidden; therefore, a rational design and development of heterogeneous sensitizers is remarkably important for the efficient production of 1 O 2 . For this purpose, quantum dots (QDs) have emerged as versatile candidates either by acting individually as sensitizers for 1 O 2 generation or by working in conjunction with other inorganic materials or organic sensitizers by providing them a vast platform. Thus, conjoining the photophysical properties of QDs with other materials, e.g., coupling/combining with other inorganic materials, doping with the transition metal ions or lanthanide ions, and conjugation with a molecular sensitizer provide the opportunity to achieve high-efficiency quantum yields of 1 O 2 which is not possible with either component separately. Hence, the current review has been focused on the recent advances made in the semiconductor QDs, perovskite QDs, and transition metal dichalcogenide QD-sensitized 1 O 2 generation in the context of ongoing and previously published research work (over the past eight years, from 2015 to 2023).

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Predicting Dexter Energy Transfer Interactions from Molecular Orbital Overlaps

Abstract: Dexter energy transfer (DET), also known as spin forbidden energy transfer (e.g., 3 Article pubs.acs.org/JPCC

Cited by 22 publications

References 32 publications

Efficient pure blue hyperfluorescence devices utilizing quadrupolar donor-acceptor-donor type of thermally activated delayed fluorescence sensitizers

Efficient pure blue hyperfluorescence devices utilizing quadrupolar donor-acceptor-donor type of thermally activated delayed fluorescence sensitizers

Advances in Solution‐Processed OLEDs and their Prospects for Use in Displays

Colloidal Quantum Dots as an Emerging Vast Platform and Versatile Sensitizer for Singlet Molecular Oxygen Generation

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