Çelenk Kaya, Elif; Ersoy, Sibel; Durmuş, Mahmut; Kantekin, Halit

4-(3-(Trifluoromethyl)benzylthio)phthalonitrile (1) was synthesized. Metal-free phthalocyanine 2, zinc(II) phthalocyanine 3 and cobalt(II) phthalocyanine 4 were synthesized starting with dinitrile compound 1. Photodynamic therapy properties of 2 and 3 were studied.

AtıfScopus8·WoS7·OpenAlex5

İncele

Kaya, Elif Çelenk; Kaya, Afşin Ahmet; Demircioǧlu, Zeynep; Büyükgüngör, Orhan

A single crystal of Ni(II)bis(3,4 dimethoxybenzoate)bis(nicotinamide) dihydrate, formulated as C30H34N4NiO12 (I), was characterized in the solid state by infra-red (IR), ultra-violet (UV) and single crystal X-ray diffraction analysis at 296 K as mononuclear with a distorted octahedral stereochemistry. The complex consists of a six-coordinate Nickel atom in a distorted octahedral environment constructed from two N atoms and four O atoms and crystallizes in the monoclinic space group C 2/c with a=27.7680(16) Å, b=8.5748(3) Å, c=17.8018(9) Å, α=90°, β=108.154(4)°, γ=90°, Z=4. The molecular structure and geometry was also optimized using the B3LYP density functional theory method employing the 6-31G(d) basis set. The molecular electrostatic potential (MEP), frontier molecular orbitals (FMO) analysis, nonlinear optical properties (NLO) and natural bond analysis (NBO), Mulliken population analyis, natural population analysis (NPA) and Fukui function analysis were also described.

AtıfScopus9·WoS8·OpenAlex11

İncele

Kaya, Afşin Ahmet; Demircioǧlu, Zeynep; Kaya, Elif Çelenk; Büyükgüngör, Orhan

A single crystal of Zn(II)bis(3,4 dimethoxybenzoate)bis(nicotinamide) dihydrate, formulated as C30H38N4O 14Zn, (I) has been obtained. According to experimental data, the complex can be characterized in the solid state as mononuclear, with a distorted octahedral stereochemistry. The distorted octahedral stereochemistry adopted by the complex was further confirmed by X-ray structure analysis of the current study, which consists of a six-coordinate Zn atom in a distorted octahedral environment constructed from two N atoms and four O atoms. The title compound crystallizes in the monoclinic space group C 2/c with a = 27.9248(18) Å, b = 8.5941(4) Å, c = 14.8344(11) Å, α = 90°, β = 108.651(5), γ = 90°, Z = 4. The molecular structure and geometry were also optimized using the B3LYP density functional theory method employing the 6-31G (d) basis set. Molecular electrostatic potential, frontier molecular orbital analysis, nonlinear optical properties and natural bond analysis for the title molecule are also described from the computational process.

AtıfScopus12·WoS13·OpenAlex16

İncele

Kaya, Elif Çelenk

The synthesis and characterization of new zinc(II) 3 , nickel(II) 4 and cobalt(II) 5 phthalocyanines complexes carrying macrocyclic N 3 O 2 groups on peripheral positions are described. The compounds were characterized by elemental analysis, IR, 1 H and 13 C NMR, UV-Vis and MS spectral data.

AtıfScopus1·WoS1·OpenAlex1

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