Derivatives of Bis(trifluoromethyl)biphenyl and Various Donor Noieties Exhibiting Dual State Emission

Keruckienė, Rasa; Kusas, N.; Dvylys, Lukas; Skuodis, Eigirdas; Матулис, Вадим Э.; Ragoyja, Ekaterina G.; Lyakhov, Dmitry; Klymenko, I. V.; Gražulevičius, Juozas V.

doi:10.1016/j.jlumin.2021.118502

Cited by 7 publications

(5 citation statements)

References 34 publications

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“…Keruckiene et al reported the biphenyl bridged phenothiazine derivative 91 (Chart 4). 147 At 77 K, solid molecular dispersions of 91 in Zeonex demonstrate dual-state emission (Fig. 14(a)).…”

Section: Other Applications Of Phenothiazine Based Luminescent Materialsmentioning

confidence: 99%

Recent advances in the development of phenothiazine and its fluorescent derivatives for optoelectronic applications

Misra

Khan

2023

J. Mater. Chem. C

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Section: Other Applications Of Phenothiazine Based Luminescent Materialsmentioning

confidence: 99%

Recent advances in the development of phenothiazine and its fluorescent derivatives for optoelectronic applications

Misra

Khan

2023

J. Mater. Chem. C

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“…11 and Table 2) was obtained via Ullmann coupling between 4,4 0 -diodo-2,2 0bis(trifluoromethyl)biphenyl and phenothiazine in 59% yield (Scheme 4). 35 Two trifluoromethyl groups were employed with the aim of intensifying intermolecular interactions, boosting thermal stability and enhancing ISC and obtaining efficient radiative simultaneous decay of singlet and triplet excited states. Under vacuum, 1 wt% of compound G34 dispersed in a Zeonex rigid matrix revealed dual emission with fluorescence peaking at 456 nm and RTP peaking at 533 nm (t PHOS of 1 ms).…”

Section: Green Rtp Emittersmentioning

confidence: 99%

Molecular design, synthesis, properties, and applications of organic triplet emitters exhibiting blue, green, red and white room-temperature phosphorescence

Stanitska,

Volyniuk,

Minaev

et al. 2024

J. Mater. Chem. C

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“…The last three functionals are referred to as one of the most accurate for calculating UV–vis spectra of organic molecules − and have been successfully applied by us in the study of absorption and emission properties of various organic molecules. − In addition, we have calculated the characteristics of PHES using double hybrid SOS-wPBEPP86 functional, which was developed specifically for accurate calculation of the energy of excited states. SOS-wPBEPP86/def2-TZVP − calculations have been performed using ORCA5 software .…”

Section: Computational Detailsmentioning

confidence: 99%

Comparative DFT Study of Small Anionic Silver and Copper Clusters: Evolution of Structure and Physicochemical Properties

Matulis,

Ivashkevich,

Lappo

et al. 2023

J. Phys. Chem. C

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Based on both total energy calculations and comparison of experimental and calculated characteristics of the photoelectron spectrum (PHES), the structural assignment of clusters Ag n − (n = 13−16) and Cu m − (m = 14−17) has been made using the density functional theory (DFT) model with our previously developed S2LYP functional. A comparative study of size dependence of geometry, electronic structure, and physicochemical properties has been carried out for a series of anionic silver and copper clusters containing up to 20 atoms. For the cases when two isomers contribute to the experimental PHES, the isomerization barriers and molar ratio of isomers were estimated. It has been shown that the geometry and the properties that are determined mainly by ns-derived electronic states are similar for copper and silver clusters. However, due to the larger contribution of (n−1)d-electrons to the chemical bond, the potential energy surface of copper clusters is less smooth, and these clusters are characterized by higher isomerization energies compared to silver clusters. The isomerization energies of clusters and the number of isomers with similar energies increase with enlarging cluster size. Thus, clusters containing less than 20 atoms easily overcome the barriers of intramolecular isomerization (i.e., behave like liquids). However, it is expected that cooled clusters containing several tens of atoms will have a rigid geometry due to high intramolecular isomerization energies.

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Derivatives of Bis(trifluoromethyl)biphenyl and Various Donor Noieties Exhibiting Dual State Emission

Cited by 7 publications

References 34 publications

Recent advances in the development of phenothiazine and its fluorescent derivatives for optoelectronic applications

Recent advances in the development of phenothiazine and its fluorescent derivatives for optoelectronic applications

Molecular design, synthesis, properties, and applications of organic triplet emitters exhibiting blue, green, red and white room-temperature phosphorescence

Comparative DFT Study of Small Anionic Silver and Copper Clusters: Evolution of Structure and Physicochemical Properties

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