Luminescent Radical Polymers DOI
Ziteng Zhang, Jianyu Zhang, Jing Sun

et al.

Chemistry - A European Journal, Journal Year: 2024, Volume and Issue: unknown

Published: Oct. 30, 2024

Organic radicals are gaining significant interest in luminescent materials due to their unique properties, which present unprecedented opportunities for innovation across various fields, from display technology biomedical applications. However, addressing challenges related stability and low fluorescence efficiency is crucial unlocking full potential practical Polymerization has emerged as an effective strategy enhance intra- interchain through-space interactions, enabling the creation of stable with excellent processing multifunctional properties. This concept emphasizes strategic use polymerization designing synthesizing main-chain side-chain radical polymers. approach not only broadens scope but also improves luminescence properties photofunctional materials.

Language: Английский

On the Meaning of De‐Excitations in Time‐Dependent Density Functional Theory Computations DOI Creative Commons
Felix Plasser

Journal of Computational Chemistry, Journal Year: 2025, Volume and Issue: 46(8)

Published: March 25, 2025

De-excitations play a prominent role within the mathematical formalism of time-dependent density functional theory (TDDFT) and other excited-state response methods. However, their physical meaning remains largely unexplored poorly understood. It is purpose this work to shed new light on issue. The main thesis developed here that de-excitations are not peculiarity TDDFT but they more fundamental property underlying wave functions reflecting how electrons excited between partially occupied orbitals. paraquinodimethane (pQDM) molecule chosen as convenient model system whose open-shell character can be modulated via twisting its methylene groups. Using one-electron transition matrix rigorous basis for our analysis, we highlight qualitative quantitative parallels in way reflected multireference function computations. As physically observable consequence, lowering dipole moment derives from destructive interference excitation de-excitation contributions. In summary, hope will formal practical aspects regarding application computations, especially diradicaloid systems.

Language: Английский

Citations

0
Dibenzononazethrene Isomers: Stable Singlet Diradicaloids with Efficient Photothermal Conversion DOI Creative Commons
Xiaoqi Tian, Mingzhe Wang, Lei Ye

et al.

Precision Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: April 9, 2025

Language: Английский

Citations

0
Diverse redox-mediated transformations to realize the para-quinoid, σ-bond, and ortho-diphenoquinoid forms DOI Creative Commons
Takashi Harimoto,

Moto Kikuchi,

Takanori Suzuki

et al.

Nature Communications, Journal Year: 2025, Volume and Issue: 16(1)

Published: May 8, 2025

Language: Английский

Citations

0
A donor–acceptor cross-conjugated phenazine macrocycle with a large Stokes shift for sensing transition metal ions with “turn-on” fluorescence DOI
Hui Li, Xuejie Zhang,

Jianfeng Peng

et al.

Journal of Materials Chemistry C, Journal Year: 2024, Volume and Issue: 12(27), P. 10127 - 10134

Published: Jan. 1, 2024

A donor–acceptor cross-conjugated phenazine macrocycle exhibiting NIR luminescence and a large Stokes shift was developed for sensing transition metal ions with “turn-on” fluorescence.

Language: Английский

Citations

3
Highly Stable Near-Infrared II Luminescent Diradicaloids for Cancer Phototheranostics DOI
Lina Feng,

Yanyan Tuo,

Zipeng Wu

et al.

Journal of the American Chemical Society, Journal Year: 2024, Volume and Issue: 146(47), P. 32582 - 32594

Published: Nov. 13, 2024

Near-infrared II (NIR-II) phototheranostic agents have become prominent for the early diagnosis and precise treatment of cancer. Organic open-shell diradicaloids with distinct structure narrow band gap are promising candidates phototherapeutic due to their strong spin-coupling effect NIR light-harvesting capacity. However, achieving stable efficient NIR-II luminescent is crucial yet rather challenging considering high chemical reactivity self-absorption. Herein, two highly diradicaloids, 2PhNVDPP PhNVDPP, were successfully fabricated by employing an acceptor planarization/π-conjugation extension donor rotation strategy. After encapsulation into water-dispersible nanoparticles (NPs), NPs exhibit luminescence, PCE 53%, improved photo/heat stability. In vivo experiments demonstrated clear visualization blood vessels tumors, as well successful imaging-guided photothermal ablation tumors. This study not only develops a pioneering diradicaloid agent luminescence but also provides unique perspective effectiveness multimodal anticancer therapy.

Language: Английский

Citations

3
6,6'-Biindeno[1,2-b]fluorene: an open-shell indenofluorene dimer DOI Creative Commons
Himanshu Sharma, Palash Jana, Dibyendu Mallick

et al.

Chemical Science, Journal Year: 2024, Volume and Issue: unknown

Published: Jan. 1, 2024

Nakano

Citations

1
Classification and quantitative characterisation of the excited states of π-conjugated diradicals DOI Creative Commons

Lujo Matasović,

Hugo Bronstein, Richard H. Friend

et al.

Faraday Discussions, Journal Year: 2024, Volume and Issue: 254, P. 107 - 129

Published: Jan. 1, 2024

Diradicals are of high current interest as emerging materials for next generation optoelectronic applications. To tune their excited-state properties it would be greatly beneficial to have a detailed understanding the wave functions different states involved but this endeavour is hampered by formal and practical barriers. tackle these challenges, we present analysis well concrete results on diradical excited states. We start with investigation available two-orbital two-electron model viewed from both valence-bond molecular orbital perspectives. highlight presence zwitterionic illustrate connections found in closed-shell molecules. Subsequently, introduce protocols analysing realistic multireference computations applying

Language: Английский

Citations

1
Variable Peripheral Ligand Donation Tunes Electronic Structure and NIR II Emission in Tetrathiafulvalene Tetrathiolate Diradicaloids DOI
Lauren E. McNamara, Jan-Niklas Boyn,

Sophie W. Anferov

et al.

Journal of the American Chemical Society, Journal Year: 2024, Volume and Issue: 146(25), P. 17285 - 17295

Published: June 14, 2024

Near-infrared (NIR) lumiphores are promising candidates for numerous imaging, communication, and sensing applications, but they typically require large, conjugated scaffolds to achieve emission in this low-energy region. Due the extended conjugation synthetic complexity required, it is extremely difficult tune photophysical properties of these systems desired applications. Here, we report facile tuning deep NIR-emitting diradicaloid complexes through simple modification peripheral ligands. These new rare examples air-, acid-, water-stable emissive diradicaloids. We apply a Hammett parameter-based strategy electron donation capping ligand across series commercially available triarylphosphines. This minor significantly alters electronic structure, consequently, electrochemical, photophysical, magnetic tetrathiafulvalene tetrathiolate (TTFtt)-based lumiphores. The resultant ∼100 nm absorption range spans common laser lines desirable telecom region (ca. 1260–1550 nm). Furthermore, sensitive local dielectrics, distinguishing them as ratiometric imaging and/or barcoding NIR

Language: Английский

Citations

1
Dual Channel Emissions of Kasha and Anti‐Kasha from a Single Radical Molecule DOI Creative Commons
Zihao Zhu, Zhiyuan Kuang, Li Shen

et al.

Angewandte Chemie, Journal Year: 2024, Volume and Issue: 136(42)

Published: July 18, 2024

Abstract Stable open‐shell luminescent radicals have recently attracted much attention due to their unique luminescence properties. However, a radical molecule with both Kasha and anti‐Kasha doublet emission properties has not been reported. Herein, we successfully synthesized stable chlorine‐substituted Chichibabin's hydrocarbon, TTM‐TTM, along its mono‐radical counterpart, TTM‐HTTM. The of TTM‐TTM follows Kasha's rule in the near infrared region. TTM‐HTTM shows dual channel emissions anti‐Kasha. Remarkably, these two types compete dynamically solution condensed states. Our findings provide valuable insights into rational design discovery that possess distinctive properties, thus broadening horizons materials research.

Language: Английский

Citations

1
Dual Channel Emissions of Kasha and Anti‐Kasha from a Single Radical Molecule DOI Creative Commons
Zihao Zhu, Zhiyuan Kuang, Li Shen

et al.

Angewandte Chemie International Edition, Journal Year: 2024, Volume and Issue: unknown

Published: July 18, 2024

Abstract Stable open‐shell luminescent radicals have recently attracted much attention due to their unique luminescence properties. However, a radical molecule with both Kasha and anti‐Kasha doublet emission properties has not been reported. Herein, we successfully synthesized stable chlorine‐substituted Chichibabin's hydrocarbon, TTM‐TTM, along its mono‐radical counterpart, TTM‐HTTM. The of TTM‐TTM follows Kasha's rule in the near infrared region. TTM‐HTTM shows dual channel emissions anti‐Kasha. Remarkably, these two types compete dynamically solution condensed states. Our findings provide valuable insights into rational design discovery that possess distinctive properties, thus broadening horizons materials research.

Language: Английский

Citations

1