Photonics of coordination complexes of dipyrrins with p- and d-block elements for application in optical devices

Kuznetsova, R. T.; Aksenova, Iuliia V.; Bashkirtsev, D. E.; Prokopenko, A. A.; Pomogaev, Vladimir A.; Антина, Е. В.; Berezin, Mikhail Y.; Bumagina, Natalia A.

doi:10.1016/j.jphotochem.2017.08.068

Cited by 22 publications

(15 citation statements)

References 19 publications

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“…Alternatively, if the T 2 energy is assumed to be underestimated, then this state should be at a wavelength of about =770 nm (frequency =13000 cm -1 ), that is 110 nm shorter than the calculated value, with the same S 1 T 2 SOC-ME's to provide an agreement with experimental fluorescence quantum yield. 16 The fluorescence efficiency in BrPhaBDP is observed experimentally as =0.03 14,16,17 which is close to the MolSOC calculation of ME=0.01 (Table 2)…”

Section: {023}supporting

confidence: 82%

“…However, this has not observed experimentally. 7,13,14,16,17 Instead, the opposite trend was observed when comparing di-iodine and dibromine-substituted compounds, where I 2 -tetraphenyl-aBDP exhibits a quite high quantum fluorescence of about γ = 0.33, whereas Br 2tetraphenyl-aBDP has almost negligible fluorescence with γ = 0.03 and Cl 2 -tetraphenyl-aBDP again appears to display a smaller rate of ISC, with γ = 0.28. These experimental results agreed well with the observed generation of photosensitized ( 1 O 2 ) by these molecules, where the most effective sensitization was not for the I 2 -substituted compound, having a triplet yield of 0.12, but rather for the Br 2 -substituted sensitizer (triplet yield of 0.83−0.89).…”

Section: ■ Introductionmentioning

confidence: 92%

“…However, this has not observed experimentally. 7,13,14,16,17 Instead, the opposite trend was observed when comparing di-iodine and di-bromine substituted compounds, where I 2 -tetraphenyl-aBDP exhibits a quite high quantum fluorescence of about γ=0.33, whereas Br 2 -tetraphenyl-aBDP has almost negligible fluorescence with γ=0.03 and Cl 2 -tetraphenyl-aBDP again appears to display a smaller rate of ISC, with γ=0.28.…”

Section: Introductionmentioning

confidence: 92%

“…9 Halogenated BDPs and in particular aBDPs were investigated quantitatively by spectroscopic measurements and by computation to analyze the fluorescence quenching by triplet sensitization. [7][8][9][10][11][12][13][14][15][16] Theoretically, a higher efficiency of S 1 T i transitions should be observed in the iodinated molecule (I-aBDP) than in brominated aBDP (Br-aBDP) due to stronger SOC and more efficient ISC for "gravity" effect of the heavier halogen congeners. However, this has not observed experimentally.…”

Section: Introductionmentioning

confidence: 99%

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Computational Investigation on the Photophysical Properties of Halogenated Tetraphenyl BODIPY

et al. 2020

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The electronic structure, transition probabilities and corresponding quantum yields of fluorescence in a family of dihalogen-tetraphenyl-aza-BODIPY were calculated at the Time-Dependent Density Functional and post-Hartree-Fock levels of theory. Excellent agreement between theoretical and experimental spectral-luminescent data was achieved with the HSE06 functional and the 6-311G* basis set. Since the fluorescence can be quenched through nonradiative intersystem spin crossing transitions from the lowest photoactive singlet state to triplet excited states, spin-orbit coupling matrix elements were calculated and applied along with Marcus-Levich-Jortner theory, leading to satisfactory agreement for the lifetimes in comparison with available experimental data. The anomalous dependence of the fluorescence efficiency on the atomic number of the halogen congeners was elucidated and shown to be due to an inversion between the fluorescent and the nearest triplet states in the iodinated compounds. The high rate of fluorescence quenching by intersystem crossings and the probability of collisions in a solvent between oxygen molecules and the molecules studied, shows that these molecules can provide efficient triplet sensitization. The most preferable sites for such interactions were predicted using electrostatic potential mapping at the extreme positive and negative charge points.

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Section: {023}supporting

confidence: 82%

Section: ■ Introductionmentioning

confidence: 92%

Section: Introductionmentioning

confidence: 92%

Section: Introductionmentioning

confidence: 99%

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Computational Investigation on the Photophysical Properties of Halogenated Tetraphenyl BODIPY

et al. 2020

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“…In the late 20th century, the synthesis, application, and commercialization of nanomaterials in different fields have been investigated by many researchers and scientists [6]. Metals have been extensively used over the decades in various fields of chemical science [7,8], biomedical science [9], engineering [10], photonics [11], and electronics [12]. The extensive use of metal-based products in routine life has compelled scientists to find new ways of synthesizing different products.…”

Section: Introductionmentioning

confidence: 99%

Antioxidant and Organic Dye Removal Potential of Cu-Ni Bimetallic Nanoparticles Synthesized Using Gazania rigens Extract

Younas

Gulzar

Ali

et al. 2021

Water

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Copper-nickel bimetallic nanoparticles (Cu-Ni BNPs) were fabricated using an eco-friendly green method of synthesis. An extract of synthesized Gazania rigens was used for the synthesis of BNPs followed by characterization employing different techniques including UV/Vis spectrophotometer, FTIR, XRD, and SEM. Spectrophotometric studies (UV-Vis and FTIR) confirmed the formation of bimetallic nanoparticles. The SEM studies indicated that the particle size ranged from 50 to 100 nm. Analysis of the BNPs by the XRD technique confirmed the presence of both Cu and Ni crystal structure. The synthesized nanoparticles were then tested for their catalytic potential for photoreduction of methylene blue dye in an aqueous medium and DPPH radical scavenging in a methanol medium. The BNPs were found to be efficient in the reduction of methylene blue dye as well as the scavenging of DPPH free radicals such that the MB dye was completely degraded in just 17 min at the maximum absorption of 660 nm. Therefore, it is concluded that Cu-Ni BNPs can be successfully synthesized using Gazania rigens extract with suitable size and potent catalytic and radical scavenging activities.

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Two Novel 2D Zn (II) Coordination Polymers with Quinoline-3-Carboxylic Acid and Tetraphenylphthalic Acid: Synthesis and Photoluminescence Properties

et al. 2019

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Photonics of coordination complexes of dipyrrins with p- and d-block elements for application in optical devices

Cited by 22 publications

References 19 publications

Computational Investigation on the Photophysical Properties of Halogenated Tetraphenyl BODIPY

Computational Investigation on the Photophysical Properties of Halogenated Tetraphenyl BODIPY

Antioxidant and Organic Dye Removal Potential of Cu-Ni Bimetallic Nanoparticles Synthesized Using Gazania rigens Extract

Two Novel 2D Zn (II) Coordination Polymers with Quinoline-3-Carboxylic Acid and Tetraphenylphthalic Acid: Synthesis and Photoluminescence Properties

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