Ahmet T. Bilgiçli

Bio: Ahmet T. Bilgiçli is an academic researcher from Sakarya University. The author has contributed to research in topics: Phthalocyanine & Phthalonitrile. The author has an hindex of 16, co-authored 51 publications receiving 697 citations.

Highly selective thioalcohol modified phthalocyanine sensors for Ag(I) and Pd(II) based on target induced J- and H-type aggregations: synthesis, electrochemistry and peripheral metal ion binding studies.

Abstract: We have described highly selective 1(4),8(11),15(18),22(25)-(1-hydroxyhexan-3-ylthio)-phthalocyanine sensors, M{Pc[α-SCH(C3H7)(C2H5OH)]4} (MPc(α-HHT)4, where M = Zn(II) (2), Cu(II ) (3) or Co(II ) (4) and HHT: –SCH(C3H7)(C2H5OH)). The formation of S–M–S {S = sulfur; M = Ag(I) or Pd(II)} bonds on the periphery in the case of Ag(I) and Pd(II) metal ions induces H- or J-aggregation, respectively, which results in significant changes in the absorption of the B- and, in particular, the Q-band. The binding ratios of Ag(I) to the periphery of 2 and 3 were found to be ca. 2 : 1 and 3 : 2, respectively. On the other hand, the binding ratios of Pd(II) to the periphery of the same compounds were found to be 3 : 1 and 4 : 1. The fluorescence of 2 exhibited distinct changes in response to treatment with Ag(I) and Pd(II) ions in solution. The fluorescence spectra emission intensity of 2 was quenched upon titration with Ag(I) and Pd(II) and a new emission maximum was observed upon titration with Pd(II). FTIR, 1H-NMR, 13C-NMR, UV–vis, MALDI-TOF MS and elemental analysis data were used to characterize the novel compounds. Transmission electron microscopy (TEM) and field-emission scanning electron microscopy (FE-SEM) were also used as complementary techniques to investigate the morphology and to image the interfacial aggregates of 2. The redox behaviours of the complexes were examined by voltammetry and in situ spectroelectrochemistry on Pt in a nonaqueous medium.

Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields

Abstract: : The unpolarized absorption and circular dichroism spectra of the fundamental vibrational transitions of the chiral molecule, 4-methyl-2-oxetanone, are calculated ab initio. Harmonic force fields are obtained using Density Functional Theory (DFT), MP2, and SCF methodologies and a 5S4P2D/3S2P (TZ2P) basis set. DFT calculations use the Local Spin Density Approximation (LSDA), BLYP, and Becke3LYP (B3LYP) density functionals. Mid-IR spectra predicted using LSDA, BLYP, and B3LYP force fields are of significantly different quality, the B3LYP force field yielding spectra in clearly superior, and overall excellent, agreement with experiment. The MP2 force field yields spectra in slightly worse agreement with experiment than the B3LYP force field. The SCF force field yields spectra in poor agreement with experiment.The basis set dependence of B3LYP force fields is also explored: the 6-31G* and TZ2P basis sets give very similar results while the 3-21G basis set yields spectra in substantially worse agreements with experiment. jg

Colourimetric and fluorescent probes for the optical detection of palladium ions.

Abstract: In recent years, the development of optical probes to analyse trace palladium ions (Pd2+) has attracted great attention because of the residual palladium released by catalytic converters or from various Pd-catalysed reactions. These residual palladium ions may cause potential health hazards. This review provides a brief introduction to the new methods used to determine trace amounts of Pd2+, which then mainly focuses on the different reporting systems and unique mechanisms of the colourimetric and fluorescent probes used to detect Pd2+, including Pd2+ complex formation or Pd-catalysed reactions.