Furoxan Derivatives of Pyrene - A DFT Study

Date

2018-01-01

Author

Türker, Burhan Lemi

Metadata

Show full item record

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

Item Usage Stats

175
views

0
downloads

Furoxan-fused pyrenes and their dinitroso derivatives (obtained by furoxan ring opening) are considered for density functional treatment at the level of B3LYP/6-31G(d,p). Embedded benzofuroxan moiety in the furoxan-fused pyrene system is thought to undergo ring opening and reclosure process analogously to benzofuroxan itself. The stabilities, structural features, NICS(0) values, IR, and UV-VIS spectral aspects, etc., are investigated comparatively for these isomeric furoxan-fused pyrenes and their isomeric dinitroso derivatives.

Subject Keywords

Organic Chemistry, Materials Chemistry, Polymers and Plastics

URI

https://hdl.handle.net/11511/58009

Journal

POLYCYCLIC AROMATIC COMPOUNDS

DOI

https://doi.org/10.1080/10406638.2016.1200637

Collections

Department of Chemistry, Article

Suggestions

OpenMETU
Core

AM1 treatment of silacyclacenes Türker, Burhan Lemi (Informa UK Limited, 1997-01-01) Semi-empirical molecular orbital treatment at the level of AM1 type has been performed on Huckel type silacyclacenes having arenoid rings (R) of 2-9. The first and second type cryptoannulenic effects are defined.
Dibenzophenazine Derivatives as Visible Photosensitizers for Diaryliodonium Salts Bulut, Umut; Kolay, Merve; Tarkuc, Simge; Toppare, Levent Kamil (Wiley, 2011-08-01) The use of two dibenzo[a,c]phenazine derivatives, 10,13-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)dibenzo[a,c]phenazine and 10,13-bis(4-hexylthiophen-2-yl)dibenzo[a,c]phenazine are reported as photosensitizers for diaryliodonium salt photoinitiators. Novel dyes based on the dibenzo[a,c]phenazine skeleton are shown to be efficient in carrying out the cationic photopolymerizations. Representative examples of different types of monomers including epoxide, and vinyl monomers are polymerized in the presence o...
LATTICE POLYMERS - BEHAVIOR FAR FROM THETA-CONDITIONS YURTSEVER, E; ISSEVER, S (Elsevier BV, 1992-01-01) Two-dimensional Monte-Carlo simulations of lattice polymers were carried out employing Lennard-Jones (LJ) type intramolecular interactions. The shape-dependent properties of these polymers were studied over a large range of interaction parameters and temperatures. The variation of the critical constant was also analysed. Two-dimensional surfaces of sections were used to determine the portions of the parameter space which corresponded to theta-conditions. The behaviour of LJ polymers far from theta-condition...
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 ...
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...

Citation Formats

B. L. Türker, “Furoxan Derivatives of Pyrene - A DFT Study,” POLYCYCLIC AROMATIC COMPOUNDS, pp. 257–271, 2018, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/58009.