Positional effect of phenylene moiety on a certain perylene chromophore: A semiempirical treatment

Date

2007-01-01

Author

Tuerker, Lemi
Atalar, Taner

Metadata

Show full item record

This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

Item Usage Stats

218
views

0
downloads

A benzimidazole derivative of perylenetetracarboxylic-3,4,9,10 anhydride has been considered as the base system. Then, by means of annellation ( phenylene fusion) a series of nonexistent structures have been constructed. The positional effect of annellation on these systems has been analyzed theoretically by performing PM3/RHF type quantum chemical calculations. The geometries and stabilities are discussed. The theoretical electronic spectra have been produced by using ZINDO/S ( CI) type calculations and discussed.

Subject Keywords

Organic Chemistry, Materials Chemistry, Polymers and Plastics

URI

https://hdl.handle.net/11511/64757

Journal

POLYCYCLIC AROMATIC COMPOUNDS

DOI

https://doi.org/10.1080/10406630601134235

Collections

Department of Chemistry, Article

Suggestions

OpenMETU
Core

Positional effect of nitrogen substitution on a certain perylene chromophore - A semiempirical treatment Türker, Burhan Lemi; Gumus, Selcuk (Informa UK Limited, 2008-01-01) The effect of aza substitution at different sites of a benzimidazole derivative of a perylenetetracarboxylic-3,4,9,10 acid is investigated theoretically. These, as yet nonexistent aza derivatives have been subjected to theoretical analysis at PM3 (RHF) type semiempirical calculations. The results indicate that all the structures are stable but endothermic. Substitution of nitrogen on the bay region of the perylene core is more favored. The electronic and vibrational spectra have also been computed.
ELECTROINITIATED POLYMERIZATION OF ACRYLAMIDE BY DIRECT ELECTRON-TRANSFER HACIOGLU, B; Akbulut, Ural; Toppare, Levent Kamil (Wiley, 1989-10-01) Electroinitiated polymerization of acrylamide was carried out in acetonitrile–tetrabutylammonium fluoroborate by electrolytic reduction of monomer. It was shown by cyclic voltammetry that direct electron transfer from the cathode to the monomer can be achieved in this solvent–electrolyte system. Reduction peak potentials measured by cyclic voltammetry indicated that sodium salts will interfere with such a mechanism. Since the reduction peak potential of sodium salt and dimethylformamide are found to be lowe...
Synthesis and optical properties of light-emitting π-conjugated polymers containing biphenyl and dithienosilole LIAO, Liang; Çırpan, Ali; CHU, Qinghui; KARASZ, Frank E.; PANG, YI (Wiley, 2007-05-15) Copolymers containing oligo(phenylene vinylene) (2.5), fluorene, and 4,4-dihexyldithienosilole (DTS) units were synthesized and characterized. The pi-conjugated monomers were joined with the palladium(0)-catalyzed Suzuki-Miyaura coupling reaction, thus forming either biphenyl- or phenyl-thiophene linkages. These polymers were photoluminescent, with the fluorescent quantum efficiency between 54 and 63% and with),lambda(max) for fluorescence at similar to 448 nm in tetrahydrofuran. The presence of 5% DTS in t...
Soluble Alkyl Substituted Poly(3,4-Propylenedioxyselenophene)s: A New Platform For Optoelectronic Materials Atak, Samed; Icli-Ozkut, Merve; Önal, Ahmet Muhtar; CİHANER, ATİLLA (Wiley, 2011-10-15) Optical and electrochemical properties of regiosymmetric and soluble alkylenedioxyselenophene-based electrochromic polymers, namely poly(3,3-dibutyl-3,4-dihydro-2H-seleno pheno [3,4-b][1,4]dioxephine) (PProDOS-C(4)), poly(3,3-dihexyl-3,4-dihydro-2H-selenopheno[3,4-b][1,4]dioxephine) (PProDOS-C(6)), and poly(3,3-didecyl-3,4-dihydro-2H-selenopheno[3,4-b][1,4]dioxephine) (PProDOS-C(10)), are highlighted. It is noted that these unique polymers have low bandgaps (1.57-1.65 eV), and they are exceptionally stable ...
Tuning of the neutral state color of the pi-conjugated donor-acceptor-donor type polymer from blue to green via changing the donor strength on the polymer Tarkuc, Simge; Udum, Yasemin Arslan; Toppare, Levent Kamil (Elsevier BV, 2009-07-17) Two donor-acceptor-donor types of T-conjugated monomers were synthesized using Stille coupling reaction. Both monomers were found to produce electroactive polymers upon electrochemical oxidation. The effects of different donor substituents on the polymers' electrochemical and spectroelectrochemical properties were examined. Optical characterization revealed that the band gaps of poly(2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(2,3-dihydrobenzo[b][1,4]dioxin-7-yl)-5,8-di(thiophen-2-yl)quinoxaline) (PDBQTh) an...

Citation Formats

L. Tuerker and T. Atalar, “Positional effect of phenylene moiety on a certain perylene chromophore: A semiempirical treatment,” POLYCYCLIC AROMATIC COMPOUNDS, pp. 1–14, 2007, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/64757.