Theoretical optical spectra of some [2(2)](1,4)-cyclophane fused tetraazaporphyrins

Türker, Burhan Lemi
ZINDO/S type semiempirical molecular orbital calculations were carried out on the benzo and [22](1,4)-cyclophane fused tetraazaporphyrins. The phane deck was found to be influential on UV-Vis singlet transitions causing some bathochromic shifts.


Theoretical electronic spectra for models having ferredoxin-core
Türker, Burhan Lemi (2002-10-31)
Ferredoxin-core model [Fe4S4] type iron-sulfur cluster having four cysteine moieties in the amide form, has been considered theoretically for electronic excitation spectrum. The neutral as well as the -/+ 2 charged forms of the model have been investigated within the restrictions of ZINDO/S (RHF) approach involving configuration interaction considerations. The charged forms, especially the negative one exhibited some bathochromic shift and hyperchromic effect.
Synthesis, characterization, and polymerization of polyether bridged thiophene and aniline derivatives
Tirkeş, Seha; Önal, Ahmet Muhtar; Department of Polymer Science and Technology (2008)
New compounds consisting of 3-thienyl and aniline units linked by polyether bridges have been synthesized and their electrochemical polymerization was performed via constant potential electrolysis and cyclic voltammetry. In the case of 3-thienyl derivatives two compounds, 1,12-di-3-thienyl-2,5,8,11-tetraoxadodecane (MI) and 1,15-di-3-thienyl-2,5,8,11,14-pentaoxapentadecane (MII) were synthesized utilizing literature methods and their corresponding polymers, poly(I) and poly(II) were prepared in an electroly...
Theoretical and experimental investigation of water-gas shift reaction over supported copper/iron oxide catalysts
Yalçın, Özgen; Önal, Işık; Department of Chemical Engineering (2017)
Density functional theory calculations were carried out to investigate the role of the chromium and copper, which were demonstrated to act as textural and catalytic promoters, respectively, for the Fe3O4-Cr2O3-CuO catalyst system by in situ experimental studies at the atomic scale. There is a minor effect of Cr on the dissociative adsorption of H2O, but no effect on CO adsorption on the Feoct2 termination of Fe3O4 (111) surface indicating that Cr does not act as a chemical promoter. Copper promotion of the ...
Synthesis and characterization of polythiophene/montmorillonite and polythiophene/polypropylene composites
Dülgerbaki, Çiğdem; Küçükyavuz, Zuhal; Department of Chemistry (2006)
In this study, polythiophene(PTP)/montmorillonite(MMT) nanocomposites were synthesized by in situ intercalative polymerization and chemical oxidative polymerization. In in situ intercalative polymerization method, composites containing 90 and 95% MMT were prepared. In chemical oxidative polymerization method, a series of composites ranging from 1 to 15% by weight MMT were synthesized. Thermal and morphological properties of samples were investigated by Differential Scanning Calorimeter (DSC), Thermal Gravim...
Microwave-assisted simultaneous novel synthesis of poly(dibromophenylene oxide)s, poly(diiodophenylene oxide)s (p), conducting(cp) and/or crosslinked (clp) and/or radical ion polymers (rip)
Çelik, Güler Bayraklı; Kısakürek, Duygu; Department of Chemistry (2007)
Microwave-assisted novel synthesis of poly(dibromophenylene oxide) or poly(diiodophenylene oxide) (P), conducting polymer (CP) and/or crosslinked polymer (CLP) and/or radical ion polymer (RIP) were achieved simultaneously from lithium, sodium or potassium 2,4,6-bromophenolate or sodium 2,4,6-iodophenolate in a very short time interval. Polymerizations were carried out by constant microwave energy with different time intervals varying from 1 to 20 min; or at constant time intervals with variation of microwav...
Citation Formats
B. L. Türker, “Theoretical optical spectra of some [2(2)](1,4)-cyclophane fused tetraazaporphyrins,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 133–138, 2002, Accessed: 00, 2020. [Online]. Available: