Positional effect of nitrogen substitution on a certain perylene chromophore - A semiempirical treatment

Date

2008-01-01

Author

Türker, Burhan Lemi
Gumus, Selcuk

Metadata

Show full item record

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

Item Usage Stats

144
views

0
downloads

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.

Subject Keywords

Organic Chemistry, Materials Chemistry, Polymers and Plastics

URI

https://hdl.handle.net/11511/56760

Journal

POLYCYCLIC AROMATIC COMPOUNDS

DOI

https://doi.org/10.1080/10406630701752837

Collections

Department of Chemistry, Article

Suggestions

OpenMETU
Core

Positional effect of phenylene moiety on a certain perylene chromophore: A semiempirical treatment Tuerker, Lemi; Atalar, Taner (Informa UK Limited, 2007-01-01) 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 di...
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...
EFFECT OF ION ASSOCIATION ON THE PROPERTIES OF IONOMERS OBTAINED FROM METHYL-METHACRYLATE METHACRYLIC-ACID COPOLYMER KOCAK, HI; ARAS, L (Elsevier BV, 1990-07-01) The solution behaviour of Na, Ba, Zn and Al ionomers of methyl methacrylate-methacrylic acid copolymer (P(MMA-MAA)) with different ion contents has been studied by viscosity and dipole moment measurements. Two solvents with different character are chosen for viscosity measurements: dioxane (ε = 2.22) and acetone (ε = 20.7). The expected polyelectrolyte behaviour of the ionomers in acetone is reflected by the viscometric measurements. Mean squared dipole moment 〈μ2〉 values are calculated over a temperature r...
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 ...
GLASS-TRANSITION, CRYSTALLIZATION AND THERMOREVERSIBLE GELATION IN TERNARY PPO SOLUTIONS - RELATIONSHIP TO ASYMMETRIC MEMBRANE FORMATION BURGHARDT, WR; Yılmaz, Levent; MCHUGH, AJ (Elsevier BV, 1987-11-01) The phase equilibrium behaviour of PPO (poly 2,6-dimethyl-1,4-phenylene oxide) in mixtures of trichloroethylene with non-solvents ethanol, methanol or octanol has been studied. Attention has been given to the phenomena of glass transition, crystallization and thermoreversible gelation. The effect of solvent-non-solvent mixtures on the glass transition temperature depression was studied using differential scanning calorimetry (d.s.c.) and found to be well described by a ternary form of the Kelley-Bueche equa...

Citation Formats

B. L. Türker and S. Gumus, “Positional effect of nitrogen substitution on a certain perylene chromophore - A semiempirical treatment,” POLYCYCLIC AROMATIC COMPOUNDS, pp. 4–14, 2008, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/56760.