☆ 4.8 Article

A direct observation of up-converted room-temperature phosphorescence in an anti-Kasha dopant-matrix system

NATURE COMMUNICATIONS (2023)

Related references

Note: Only part of the references are listed.

Article Chemistry, Multidisciplinary

FCclasses3: Vibrationally-resolved spectra simulated at the edge of the harmonic approximation

Javier Cerezo et al.

Summary: We introduce FCclasses3, a code for vibronic simulations of electronic spectra and nonradiative rates. The code includes several new features such as the implementation of vertical and adiabatic harmonic models, vibrational analysis in curvilinear coordinates, extension to various electronic spectroscopies, and time-dependent approaches.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2023)

Add to Collection

Article Materials Science, Multidisciplinary

A Twisted Phosphor: Breaking T1 Energy Conservation in Dopant-Matrix Organic Phosphorescence Systems

Shuhui Ding et al.

Summary: This study reports the serendipitous finding of a twisted organic phosphor that breaks T-1 energy conservation in dopant-matrix phosphorescence systems. The phosphor exhibits different phosphorescence colors and T-1 energy levels when doped into different organic matrices. Time-dependent density functional theory calculations reveal the effect of twisted angle on T-1 energy level, and the phosphor shows the recovery of T-1 energy conservation after planarization.

ADVANCED OPTICAL MATERIALS (2023)

Add to Collection

Article Materials Science, Multidisciplinary

Manipulation of Triplet Excited States for Long-Lived and Efficient Organic Afterglow

Yan Sun et al.

Summary: By designing luminescent dopants with specific characteristics, controlling molecular rigidity, screening organic matrices, and deuterating luminescent dopants, it is possible to achieve long afterglow lifetimes and high afterglow efficiency in organic materials.

ADVANCED OPTICAL MATERIALS (2022)

Add to Collection

Article Materials Science, Multidisciplinary

Boosting organic afterglow efficiency via triplet-triplet annihilation and thermally-activated delayed fluorescence

Jiulong Zhang et al.

Summary: In this study, the incorporation of triplet-triplet annihilation (TTA) and thermally-activated delayed fluorescence (TADF) mechanisms significantly enhanced the efficiency of room-temperature organic afterglow systems. By selecting suitable luminescent dopants and matrix materials and adjusting their interactions, high-efficiency afterglow emission was achieved and the potential applications of these materials in fields such as multi-color anti-counterfeiting and bioimaging were demonstrated.

JOURNAL OF MATERIALS CHEMISTRY C (2022)

Add to Collection

Article Chemistry, Physical

Revisiting the Performance of Time-Dependent Density Functional Theory for Electronic Excitations: Assessment of 43 Popular and Recently Developed Functionals from Rungs One to Four

Jiashu Liang et al.

Summary: This paper assesses the performance of over 40 density functionals for the calculation of excitation energies. The results show that omega B97X-D and BMK functionals perform the best, with practical basis set recommendations provided.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2022)

Add to Collection

Article Chemistry, Multidisciplinary

Comprehensive understanding of multiple resonance thermally activated delayed fluorescence through quantum chemistry calculations

Katsuyuki Shizu et al.

Summary: This study provides a comprehensive understanding of the emission mechanism of a representative multiple resonance-type thermally activated delayed fluorescence (MR-TADF) molecule. Through calculations, the rate constants and photoluminescence quantum yield related to the emission mechanism were quantified.

COMMUNICATIONS CHEMISTRY (2022)

Add to Collection

Article Chemistry, Physical

Dielectric control of reverse intersystem crossing in thermally activated delayed fluorescence emitters

Alexander J. Gillett et al.

Summary: Thermally activated delayed fluorescence (TADF) materials are influenced by the dielectric environment, especially in materials with higher dipole moments. Environmental reorganization after excitation can decrease the activation energy for reverse intersystem crossing, leading to an increased rate of reverse intersystem crossing.

NATURE MATERIALS (2022)

Add to Collection

Review Chemistry, Multidisciplinary

Anti-Kasha Fluorescence in Molecular Entities: Central Role of Electron-Vibrational Coupling

Daniel Escudero et al.

Summary: The study reveals various exceptions to Kasha's rule and different types of anomalous fluorescence phenomena. Through quantum chemical investigations, three types of anti-Kasha scenarios are highlighted, which may provide theoretical support for the design and application of new fluorescence properties.

ACCOUNTS OF CHEMICAL RESEARCH (2022)

Add to Collection

Article Chemistry, Multidisciplinary

Best-Practice DFT Protocols for Basic Molecular Computational Chemistry

Markus Bursch et al.

Summary: This work provides best-practice guidance on various methodological and technical aspects of DFT calculations, including how to choose computational protocols, functionals, basis sets, and achieve an optimal balance between accuracy, robustness, and efficiency through multi-level approaches.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2022)

Add to Collection

Review Chemistry, Multidisciplinary

Dual Emission: Classes, Mechanisms, and Conditions

Santosh Kumar Behera et al.

Summary: The passage discusses the growing interest in dual-emission materials for materials and life science applications, highlighting the lack of a systematic overview of the underlying processes. It classifies dual-emission phenomena and describes relevant mechanisms for materials science, while also providing references for further reading and inspiration for future designs of dual-emission materials.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2021)

Add to Collection

Article Chemistry, Physical

Carbazole isomers induce ultralong organic phosphorescence

Chengjian Chen et al.

Summary: Commercial carbazole is commonly used to synthesize organic functional materials. An isomer of carbazole found in commercially produced batches is responsible for the ultralong phosphorescence observed in these compounds and their derivatives.

NATURE MATERIALS (2021)

Add to Collection

Article Chemistry, Physical

Benchmarking TD-DFT and Wave Function Methods for Oscillator Strengths and Excited-State Dipole Moments

Rudraditya Sarkar et al.

Summary: This study compares the performances of various wave function methods and time-dependent density-functional theory under different conditions, highlighting the significant impact of gauge choice on oscillator strengths for ADC(2) and CC2. Moreover, it suggests that the accuracy and consistency obtained with the second-order wave function approaches ADC(2) and CC2 do not clearly outperform those of TD-DFT.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2021)

Add to Collection

Article Chemistry, Physical

Theoretical Determination of Rate Constants from Excited States: Application to Benzophenone

Katsuyuki Shizu et al.

Summary: An economical method for predicting electronic transition rate constants from excited states of molecules using density functional theory and the Fermi golden rule has been successfully applied to studying the excited-state decay mechanism of benzophenone. The calculated rate constants are consistent with experimental data, confirming the reliability of the method. Population kinetics calculations suggest that the predominant decay pathway for benzophenone is S-1 -> T-2 -> T-1 -> S-0.

JOURNAL OF PHYSICAL CHEMISTRY A (2021)

Add to Collection

Article Materials Science, Multidisciplinary

Achieving High Afterglow Brightness in Organic Dopant-Matrix Systems

Yan Sun et al.

Summary: A highly bright afterglow system is reported, achieved through doping spiro-shaped difluoroboron beta-diketonate luminogens into benzophenone matrices. The material exhibits intense green afterglow, brighter than typical inorganic afterglow materials, and can last for more than 5 seconds under room light.

ADVANCED OPTICAL MATERIALS (2021)

Add to Collection

Article Chemistry, Multidisciplinary

TADF-Type Organic Afterglow

Xuepu Wang et al.

Summary: A highly efficient dopant-matrix afterglow system utilizing the TADF mechanism has been developed to achieve afterglow quantum yields of 60-70%. By designing compounds with multiple electron-donating groups and selecting matrices that interact with the excited states of the dopants, the afterglow materials exhibit excellent performance and potential applications in bioimaging.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2021)

Add to Collection

Article Chemistry, Physical

Confining isolated chromophores for highly efficient blue phosphorescence

Wenpeng Ye et al.

Summary: The study demonstrates a chemical strategy for achieving high-performance blue phosphorescence by confining isolated chromophores in ionic crystals, forming high-density ionic bonds between the cations of ionic crystals and the carboxylic acid groups of the chromophores to create a segregated molecular arrangement with negligible inter-chromophore interactions.

NATURE MATERIALS (2021)

Add to Collection

Article Chemistry, Multidisciplinary

Unexpected long room-temperature phosphorescence lifetimes of up to 1.0 s observed in iodinated molecular systems

Junbo Li et al.

Summary: Iodine substitution in heavy atom improved the luminescent properties of BF(2)bdk, showing long phosphorescence lifetimes at room temperature.

CHEMICAL COMMUNICATIONS (2021)

Add to Collection

Review Chemistry, Multidisciplinary

Dual emission in purely organic materials for optoelectronic applications

Nadzeya A. Kukhta et al.

Summary: The study focuses on purely organic molecules that emit light by dual emissive pathways, emphasizing the importance of understanding the relationship between molecular structure and photophysical processes. Categorizing types of dual emissive based on spin multiplicity and emission time range, recent experimental advances and design rules for novel candidates are outlined, providing opportunities for new materials synthesis and future innovations in this area.

MATERIALS HORIZONS (2021)

Add to Collection

Article Chemistry, Multidisciplinary

Multiple-State Emissions from Neat, Single-Component Molecular Solids: Suppression of Kasha's Rule

Ya-Hang Wu et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)

Add to Collection

Article Multidisciplinary Sciences

Thermally activated triplet exciton release for highly efficient tri-mode organic afterglow

Jibiao Jin et al.

NATURE COMMUNICATIONS (2020)

Add to Collection

Article Chemistry, Physical

Observation of triplet nπ* state in ultrafast intersystem crossing of 6-azathymine

Lin Fu et al.

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY (2020)

Add to Collection

Article Chemistry, Physical

Computational Protocol To Predict Anti-Kasha Emissions: The Case of Azulene Derivatives

Koen Veys et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2020)

Add to Collection

Article Multidisciplinary Sciences

Design of highly efficient deep-blue organic afterglow through guest sensitization and matrices rigidification

Shen Xu et al.

NATURE COMMUNICATIONS (2020)

Add to Collection

Review Nanoscience & Nanotechnology

Room-temperature phosphorescence from organic aggregates

Weijun Zhao et al.

NATURE REVIEWS MATERIALS (2020)

Add to Collection

Review Multidisciplinary Sciences

Enhancing the performance of pure organic room-temperature phosphorescent luminophores

Kenry et al.

NATURE COMMUNICATIONS (2019)

Add to Collection

Article Chemistry, Multidisciplinary

Aggregation-Induced Dual-Phosphorescence from Organic Molecules for Nondoped Light-Emitting Diodes

Tao Wang et al.

ADVANCED MATERIALS (2019)

Add to Collection

Article Chemistry, Physical

Direct Observation of Long-Lived Upper Excited Triplet States and Intersystem Crossing in Anthracene-Containing PtII Complexes

Wenbo Yang et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2019)

Add to Collection

Article Chemistry, Multidisciplinary

Efficient and Long-Lived Room-Temperature Organic Phosphorescence: Theoretical Descriptors for Molecular Designs

Huili Ma et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)

Add to Collection

Review Chemistry, Multidisciplinary

Assembling-Induced Emission: An Efficient Approach for Amorphous Metal-Free Organic Emitting Materials with Room Temperature Phosphorescence

Xiang Ma et al.

ACCOUNTS OF CHEMICAL RESEARCH (2019)

Add to Collection

Article Chemistry, Multidisciplinary

Ternary Emission of Fluorescence and Dual Phosphorescence at Room Temperature: A Single-Molecule White Light Emitter Based on Pure Organic Aza-Aromatic Material

Changjiang Zhou et al.

ADVANCED FUNCTIONAL MATERIALS (2018)

Add to Collection

Article Chemistry, Physical

Self-Interaction Error in Density Functional Theory: An Appraisal

Junwei Lucas Bao et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2018)

Add to Collection

Article Multidisciplinary Sciences

The influence of the molecular packing on the room temperature phosphorescence of purely organic luminogens

Jie Yang et al.

NATURE COMMUNICATIONS (2018)

Add to Collection

Review Nanoscience & Nanotechnology

All-organic thermally activated delayed fluorescence materials for organic light-emitting diodes

Yuchao Liu et al.

NATURE REVIEWS MATERIALS (2018)

Add to Collection

Article Materials Science, Multidisciplinary

The influence of molecular conformation on the photophysics of organic room temperature phosphorescent luminophores

Rongjuan Huang et al.

JOURNAL OF MATERIALS CHEMISTRY C (2018)

Add to Collection

Article Multidisciplinary Sciences

White light emission from a single organic molecule with dual phosphorescence at room temperature

Zikai He et al.

NATURE COMMUNICATIONS (2017)

Add to Collection

Review Materials Science, Multidisciplinary

Recent Advances in Materials with Room-Temperature Phosphorescence: Photophysics for Triplet Exciton Stabilization

Shuzo Hirata

ADVANCED OPTICAL MATERIALS (2017)

Add to Collection

Article Materials Science, Multidisciplinary

Nature of the singlet and triplet excitations mediating thermally activated delayed fluorescence

Y. Olivier et al.

PHYSICAL REVIEW MATERIALS (2017)

Add to Collection

Article Chemistry, Multidisciplinary

Cyclic Triimidazole Derivatives: Intriguing Examples of Multiple Emissions and Ultralong Phosphorescence at Room Temperature

Elena Lucenti et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2017)

Add to Collection

Article Chemistry, Multidisciplinary

Confinement of Long-Lived Triplet Excitons in Organic Semiconducting Host-Guest Systems

Naoto Notsuka et al.

ADVANCED FUNCTIONAL MATERIALS (2017)

Add to Collection

Article Chemistry, Multidisciplinary

Intermolecular Electronic Coupling of Organic Units for Efficient Persistent Room-Temperature Phosphorescence

Zhiyong Yang et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2016)

Add to Collection

Article Chemistry, Multidisciplinary

Achieving remarkable mechanochromism and white-light emission with thermally activated delayed fluorescence through the molecular heredity principle

Bingjia Xu et al.

CHEMICAL SCIENCE (2016)

Add to Collection

Article Chemistry, Multidisciplinary

Rational Molecular Design for Achieving Persistent and Efficient Pure Organic Room-Temperature Phosphorescence

Weijun Zhao et al.

CHEM (2016)

Add to Collection

Article Chemistry, Multidisciplinary

White-Light Emission Strategy of a Single Organic Compound with Aggregation-Induced Emission and Delayed Fluorescence Properties

Zongliang Xie et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)

Add to Collection

Article Chemistry, Multidisciplinary

Linearly Tunable Emission Colors Obtained from a Fluorescent-Phosphorescent Dual-Emission Compound by Mechanical Stimuli

Zhu Mao et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)

Add to Collection

Review Chemistry, Multidisciplinary

Light-Emitting Self-Assembled Materials Based on d8 and d10 Transition Metal Complexes

Vivian Wing-Wah Yam et al.

CHEMICAL REVIEWS (2015)

Add to Collection

Review Chemistry, Multidisciplinary

Aggregation-Induced Emission: Together We Shine, United We Soar!

Ju Mei et al.

CHEMICAL REVIEWS (2015)

Add to Collection

Article Chemistry, Physical

Stabilizing triplet excited states for ultralong organic phosphorescence

Zhongfu An et al.

NATURE MATERIALS (2015)

Add to Collection

Review Chemistry, Multidisciplinary

Delocalization Error and Functional Tuning in Kohn-Sham Calculations of Molecular Properties

Jochen Autschbach et al.

ACCOUNTS OF CHEMICAL RESEARCH (2014)

Add to Collection

Article Multidisciplinary Sciences

Highly efficient organic light-emitting diodes from delayed fluorescence

Hiroki Uoyama et al.

NATURE (2012)

Add to Collection

Article Chemistry, Physical

Crystallization-Induced Phosphorescence of Pure Organic Luminogens at Room Temperature

Wang Zhang Yuan et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2010)

Add to Collection

Article Chemistry, Physical

Charge-Transfer Excitations and Time-Dependent Density Functional Theory: Problems and Some Proposed Solutions

Jochen Autschbach

CHEMPHYSCHEM (2009)

Add to Collection

Article Chemistry, Physical

A dual-emissive-materials design concept enables tumour hypoxia imaging

Guoqing Zhang et al.

NATURE MATERIALS (2009)

Add to Collection

Article Chemistry, Physical

Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections

Jeng-Da Chai et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)

Add to Collection

Article Chemistry, Multidisciplinary

Toward quantitative prediction of molecular fluorescence quantum efficiency: Role of Duschinsky rotation

Qian Peng et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)

Add to Collection

Article Chemistry, Physical

First direct observation of the higher triplet excited states of substituted oligothiophenes by two-color two-laser flash photolysis

M Fujitsuka et al.

CHEMPHYSCHEM (2004)

Add to Collection

Review Chemistry, Multidisciplinary

Charge-transfer and energy-transfer processes in π-conjugated oligomers and polymers:: A molecular picture

JL Brédas et al.

CHEMICAL REVIEWS (2004)

Add to Collection

© Peeref 2019-2024. All rights reserved.