Electrochemical, Photophysical and Theoretical Studies of Novel Zinc Phthalocyanines

2020 ◽  
Vol 20 (9) ◽  
pp. 5402-5410
Author(s):  
Rangaraju Satish Kumar ◽  
Naveen Mergu ◽  
Kyeong Su Min ◽  
Young-A Son
Keyword(s):  
Chemical Properties ◽  
Monomethyl Ether ◽  
Color Filter ◽  
Glycol Monomethyl Ether ◽  
Visible Absorption ◽  
Good Solubility ◽  
Zinc Phthalocyanines ◽  
Aggregation Property ◽  
Uv Visible ◽  
Industrial Solvents

In this research, we successfully synthesized three novel zinc phthalocyanines and applied for electrochemical and photo physical properties. These phthalocyanines are naphthoxy derivatives with methyl, benzyl and butyl-benzyl, with halo substitution (PCME, PCBN and PCBBN) and poses very good solubility in all industrial solvents. To check the preliminary results of LCD green color filter properties of these molecules, we taken the UV-Visible absorption and transmittance studies in Propylene glycol monomethyl ether acetate and achieved around 90% of transmittance in the region of 400–550 nm. Further understand the solubility of our phthalocyanines, we checked the aggregation property in PGMEA and we observed no any aggregation. All compounds showed very nice electro chemical properties with nice oxidation and reduction peaks. These phthalocyanines are fit for LCD color filter applications. Finally to get insights of the electronic and UV-Visible properties of the new dyes, the DFT calculations were performed.

Pyridone substituted phthalocyanines: Photophysico-chemical properties and TD-DFT calculations

2018 ◽  
Vol 22 (01n03) ◽  
pp. 25-31 ◽  
Author(s):  
Şaziye Abdurrahmanoğlu ◽  
Mevlüde Canlıca ◽  
John Mack ◽  
Tebello Nyokong
Keyword(s):  
Electronic Structure ◽  
Nmr Spectroscopy ◽  
Dft Calculations ◽  
Chemical Properties ◽  
Quantum Yields ◽  
Visible Absorption ◽  
H Nmr ◽  
Td Dft ◽  
Ft Ir ◽  
Uv Visible

4-(6-methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yloxy)phthalonitrile has been used to prepare a novel Zn(II) phthalocyanines with four peripheral pyridone substituents. The compound has been characterized by UV-visible absorption, FT-IR and [Formula: see text]H-NMR spectroscopy, elemental analysis and MALDI-TOF mass spectroscopy. The fluorescence, triplet quantum and singlet oxygen quantum yields have been determined and TD-DFT calculations have been used to identify trends in the electronic structure.

Synthesis, Characterization and Properties of Amphiphilic Copolyfluorenes

2006 ◽  
Vol 11-12 ◽  
pp. 371-374
Author(s):  
Ai Ying Li ◽  
Jie Yun Chang ◽  
Kai Quan Wang ◽  
Lu De Lu
Keyword(s):  
Molecular Weight ◽  
Absorption Maximum ◽  
Amphiphilic Copolymers ◽  
Narrow Molecular Weight Distribution ◽  
Thermal Stabilities ◽  
Visible Absorption ◽  
1H And 13C Nmr ◽  
Good Solubility ◽  
Suzuki Polycondensation ◽  
Uv Visible

One novel fluorene-based amphiphilic copolymers has been synthesized by Suzuki polycondensation (SPC) with monomer 2,7-dibromo-9,9-bis-(3,6-dioxahepyl)fluorene and 9,9-dioctylfluorene-2,7-bis-(trimethyleneboronate). The copolyfluorenes’ molecular structure is characterized by 1H and 13C NMR as well as elemental analysis. The copolyfluorenes have high molecular weight and narrow molecular weight distribution, at the same time, are found to have good solubility and thermal stabilities. The copolyfluorenes exhibit a UV-visible absorption band in the range of 389-393 nm in both toluene solution and the film state. Upon photo-excitation around the absorption maximum wavelength, their PL spectra show a maximum peaks around at 415-427 nm.

scholarly journals 2,4-Bis(arylethynyl)-9-chloro-5,6,7,8-tetrahydroacridines: synthesis and photophysical properties

2021 ◽  
Vol 17 ◽  
pp. 1629-1640
Author(s):  
Najeh Tka ◽  
Mohamed Adnene Hadj Ayed ◽  
Mourad Ben Braiek ◽  
Mahjoub Jabli ◽  
Noureddine Chaaben ◽  
...  
Keyword(s):  
Density Functional ◽  
Photophysical Properties ◽  
Chemical Properties ◽  
Efficient Synthesis ◽  
One Pot ◽  
Visible Absorption ◽  
Functional Theory ◽  
Uv Visible ◽  
Physical And Chemical ◽  
And Chemical Properties

Acridine derivatives have attracted considerable interest in numerous areas owing to their attractive physical and chemical properties. Herein, starting from readily available anthranilic acid, an efficient synthesis of 2,4-bis(arylethynyl)-9-chloro-5,6,7,8-tetrahydroacridine derivatives was accomplished via a one-pot double Sonogashira cross-coupling method. The UV-visible absorption and emission properties of the synthesized molecules have been examined. Additionally, theoretical studies based on density functional theory (DFT/B3LYP/6-31G(d)) were carried out.

Photophysicochemical properties and TD-DFT calculations of a novel terminal alkyne substituted metal free phthalocyanine

2014 ◽  
Vol 18 (03) ◽  
pp. 251-258 ◽  
Author(s):  
Yusuf Yılmaz ◽  
John Mack ◽  
Mehmet Sönmez ◽  
Tebello Nyokong
Keyword(s):  
Triplet State ◽  
Therapeutic Window ◽  
Quantum Yields ◽  
Visible Absorption ◽  
H Nmr ◽  
Good Solubility ◽  
Near Ir ◽  
Wide Range ◽  
Td Dft ◽  
Uv Visible

The synthesis of a novel free base tetrakis(prop-2-ynyloxy)phthalocyanine (2) is described, along with its characterization by IR, UV-visible absorption, and 1 H NMR spectroscopy and mass spectrometry. The compound exhibited good solubility in a wide range of organic solvents and no significant aggregation was observed over a wide concentration range. The values for the singlet oxygen (ΦΔ), photodegradation, fluorescence (ΦF) and triplet state quantum yields and the fluorescence and triplet state lifetimes are reported. A relatively high ΦΔ value of 0.46 was obtained in DMSO. The ability to carry out "click" chemistry at the ligand periphery enhances the potential utility of 2 for use in bioconjugates in photodynamic therapy (PDT). A moderately high ΦF value of 0.18 is observed for emission in the therapeutic window in the near-IR region, which suggests that it may also be possible to determine the level of localization of 2 in tumor cells through bioimaging.

Remarkable kinetic stability of α-thiocarbamoyl substituted 4-methoxybenzylcations

1998 ◽  
Vol 76 (12) ◽  
pp. 1910-1915 ◽  
Author(s):  
Robert A McClelland ◽  
Victoria E Licence ◽  
John P Richard ◽  
Kathleen B Williams ◽  
Shrong-Shi Lin
Keyword(s):  
Key Words ◽  
Strong Interaction ◽  
Rate Constants ◽  
Flash Photolysis ◽  
Visible Absorption ◽  
Methyl Group ◽  
Thioamide Group ◽  
Azide Ion ◽  
Uv Visible ◽  
Leaving Groups

4-Methoxybenzyl cations bearing α-(N,N-dimethylcarbamoyl) and α-(N,N-dimethylthiocarbamoyl) substituents have been generated photochemically upon irradiation of precursors with pentafluorobenzoate or 4-methoxybenzoate leaving groups. The ions have been observed with flash photolysis in 40:60 acetonitrile:water and in 50:50 methanol:water, and rate constants were measured for their decay in solvent alone and for their capture by azide ion. The cations so studied and their lifetimes in 40% acetonitrile are 6, ArC+H-CONMe2, 0.6 μs; 2, ArC+H-CSNMe2, 7 ms; and 4, ArC+(CH3)-CSMe2, 6 ms, where Ar = 4-MeOC6H4. The cation 4 reacts with solvent by elimination of a proton from the α-methyl group, and the rate constant for solvent addition must be less than 1 s-1. The CSNMe2 substituted cations are 105-107-fold longer lived than analogs where the thioamide group has been replaced with an α-methyl. The UV-visible absorption spectra of these two cations also show significant differences from those of typical 4-methoxybenzyl cations. Thus, both the lifetimes and spectra point to a strong interaction of the benzylic centre with the thioamide group. Key words: flash photolysis, thiocarbamoyl stabilized carbocation, photosolvolysis.

scholarly journals Water-soluble β-aminobisulfonate building blocks for pH and Cu2+ indicators

RSC Advances ◽  
2016 ◽  
Vol 6 (88) ◽  
pp. 84712-84721 ◽  
Author(s):  
Maria A. Cardona ◽  
Marina Kveder ◽  
Ulrich Baisch ◽  
Michael R. Probert ◽  
David C. Magri
Keyword(s):  
Nmr Spectroscopy ◽  
Building Blocks ◽  
Water Soluble ◽  
Visible Absorption ◽  
H Nmr ◽  
Uv Visible

Two phenyl β-aminobisulfonate ligands characterised by UV-visible absorption, EPR and 1H NMR spectroscopy exhibit evidence for binding with Cu2+ in water and methanol.

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