Synthesis of Perylene

Iwashima, Satoshi; Aoki, Junji

doi:10.1246/bcsj.41.2789

Cited by 3 publications

(4 citation statements)

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“…The Perylene molecule was optimized using density functional calculations. A good agreement was found between the calculated geometrical parameters (bond angles and bond lengths) and the experimental values obtained from the crystallographic data for this molecule (Supporting Information Table S1). The slight deviation in the values can be attributed to the fact that the theoretical calculations were carried out for single isolated molecule in gaseous phase while as the experimental values reported are those of the crystalline solid phase.…”

Section: Resultssupporting

confidence: 71%

Computational studies on optoelectronic and charge transfer properties of some perylene-based donor-π-acceptor systems for dye sensitized solar cell applications

Manzoor

Asmi

Niaz

et al. 2016

Int. J. Quantum Chem.

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We report DFT studies on some perylene-based dyes for their electron transfer properties in solar cell applications. The study involves modeling of different donor-p-acceptor type sensitizers, with perylene as the donor, furan/pyrrole/thiophene as the p-bridge and cyanoacrylic group as the acceptor. The effect of different p-bridges and various substituents on the perylene donor was evaluated in terms of opto-electronic and photovoltaic parameters such as HOMO-LUMO energy gap, k max , light harvesting efficiency(LHE), electron injection efficiency (Ø inject ), excited state dye potential (E dye *), reorganization energy(k), and free energy of dye regeneration (DG Regen dye ). The effect of various substituents on the dye-I 2 interaction and hence recombination process was also evaluated. We found that the furan-based dimethylamine derivative exhibits a better balance of the various optical and photovoltaic properties. Finally, we evaluated the overall opto-electronic and transport parameters of the TiO 2 -dye assembly after anchoring the dyes on the model TiO 2 cluster assembly. K E Y W O R D S donor-p-acceptor dyes, dye sensitization, electron injection efficiency, light harvesting efficiency, solar energy, titanium dioxide nano compositesThe extensive exploitation of energy resources, and the associated environmental crisis such as climate change caused by the increasing consumptions of fossil fuels, is a matter of serious concern which needs immediate attention. Energy resources, especially petroleum, coal, and natural gas, which constitute the major share of the available natural resources, are being extensively consumed by the growing population and their unabated use is adding to the global warming. The situation is alarming and demands the development of alternative clean forms of energy which, along with solving the problem of energy crisis will also address the pollution problems; thereby cutting down the global warming. In recent years, solar energy has been considered as a promising alternative to the conventional resources, since it is easily available and constitutes a clean form of energy. Considerable attention has been devoted to the manufacturing of efficient solar light harvesters which are complementary to the silicon-based solar devices but with enhanced light harvesting efficiency. In this category, dye sensitized solar cells (DSSCs) are considered as pioneer candidates due to their better light harvesting ability, low cost, and maximum efficiency in comparison to the traditional silicon-based solar devices. [1-4] The development of a highly efficient solar cell by Gratzel et al. was achieved by the sensitization of a TiO 2 nanocomposite by ruthenium-based molecular dyes which have reached the power conversion efficiency of around 7-12%. [5-10] The ruthenium(II)bipyridyl systems have been considered as the most efficient systems in terms of photo-conversion efficiency;however, the record is still held by a zinc-based porphyrin dye exhibiting a conversion efficiency of 12.3%. [11] A DSSC can b...

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Section: Resultssupporting

confidence: 71%

Computational studies on optoelectronic and charge transfer properties of some perylene-based donor-π-acceptor systems for dye sensitized solar cell applications

Manzoor

Asmi

Niaz

et al. 2016

Int. J. Quantum Chem.

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show abstract

“…It should be mentioned that in the structure found for Experimental Pet was prepared from 3,4,9,10-perylenetetracarboxylic dianhydride according to reported procedures (Rogovik, 1974). In order to increase the yield, an alternative procedure (Iwashima & Aoki, 1968) for the decarboxylation of perylo [1,12-b,c,d]thiophene-3,4,9,10-tetracarboxylic acid was used. Crystals of pet suitable for X-ray diffraction studies were obtained by slow evaporation of acetonitrile-dichloromethane solutions.…”

Section: Petmentioning

confidence: 99%

Perylo[1,12-b,c,d]thiophene

Santos¹,

Almeida²,

Morgado³

et al. 1997

Acta Crystallogr C

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“…Electrical resistivity was measured without removing the The outer CN groups of the mnt ligands are significantly 5)MNi(2)MS (7) 177.81( 8) S( 6)MNi(2)MS( 8) 178.85(7) S( 5)MNi(2)MS (8) 87.34(6) S( 7)MNi(2)MS( 8) 92.32( 7) C(51)MS( 5 2 units between the pet stacks as shown in Fig. 3.…”

Section: Resultsmentioning

confidence: 99%

“…The structure was solved by direct methods, using (pet) num electrodes and at room temperature. The compound pet c/A ˚13.3297(10) was synthesised from 3,4,9,10-perylenetetracarboxylic dianhya/degrees 78.320 (8) dride (Aldrich) according to the procedure of Rogovik,6 but b/degrees 87.096 (7) using in the last decarboxylation step the technique described c/degrees 87.785 (8) by Iwashima and Aoki,8 and purified by multiple gradient just before use, and the electrocrystallisation solutions were sample from the thermopower cell by attaching to it two additional gold wires, in order to obtain a four-in-line electrode configuration. Measurements were performed with a 1 mA low frequency (77 Hz) current, the voltage being measured with a lock-in amplifier (EG&G PAR 5301).…”

mentioning

confidence: 99%