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Browsing Araştırma Çıktıları / Research Outputs by Subject "AB-INITIO"

Now showing items 1-7 of 7

Novel Mn(II) and Zn(II) complexes of 6-bromopicolinic acid as a potential optical material: Synthesis, spectral characterizations, linear, and nonlinear optical properties and density functional theory calculations

Avci, Davut; Saeedi, Yalda; Basoglu, Adil; Dege, Necmi; Alturk, Sumeyye; Tamer, Omer; Atalay, Yusuf (WILEY, 2021)

The Mn(II) and Zn(II) complexes of 6-bromopicolinic acid (6-BrpicH) were synthesized for the first time, and their molecular structures were determined by X-ray diffraction (XRD) technique. The detailed experimental spectral ...
Single-crystal X-ray structural characterization, Hirshfeld surface analysis, electronic properties, NBO, and NLO calculations and vibrational analysis of the monomeric and dimeric forms of 5-nitro-2-oxindole

Sagdinc, Seda Gunesdogdu; Akcay, Banu Kevser; Yildiz, Salih Zeki; Isik, Ilknur Baldan (ROYAL SOC CHEMISTRY, 2021)

A single crystal of 5-nitro-2-oxindole was obtained and fully characterized by X-ray structural determination, vibrational frequencies, and UV-vis analysis. An X-ray study indicated that the crystal belongs to a monoclinic ...
Structural, Spectroscopic and Molecular Characterization of an Asymmetric Schiff Base Compound

Dogan, OE; Poyraz, EB; Saracoglu, H; Agar, T; Yasa, B; Dege, N (2023)

2-((E)-((2-(((E)-2-hydroxy-3-methylbenzylidene)amino)benzyl)imino)methyl)-6-methylphenol, C23H22N2O2, was synthesized by the reaction between 2-hydroxy-3-methylbenzaldehyde, and 2-(aminomethyl)aniline in aqueous ethanol. ...
Synthesis and spectral properties of symmetrically arylated BODIPY dyes: Experimental and computational approach

Yilmaz, RF; Derin, Y; Misir, BA; Atalay, VE; Tutar, ÖF; Ökten, S; Tutar, A (2023)

In this study, a series of symmetrically arylated BODIPY dyes were synthesized using a pre-functionalization method, and their structures were characterized by several spectroscopic methods. The relationship between the ...
Synthesis, DFT calculations and molecular docking study of mixed ligand metal complexes containing 4,4 '-dimethyl-2,2 '-bipyridyl as alpha-glucosidase inhibitors

Avci, Davut; Alturk, Sumeyye; Sonmez, Fatih; Tamer, Omer; Basoglu, Adil; Atalay, Yusuf; Kurt, Belma Zengin (ELSEVIER, 2020)

Novel mixed ligand metal complexes including 4,4'-dimethyl-2,2'-bipyridyl (dmdpy) and 6-methylpyridine-2-carboxylic acid (6-mpaH) {[VO(6-mpa)(dmdpy)]center dot SO3, (1), [Fe(6-mpa)(dmdpy)(NO3)(2)]center dot NO3, (2), ...
Synthesis, spectral properties, alpha-glucosidase inhibition, second-order and third-order NLO parameters and DFT calculations of Cr(III) and V(IV) complexes of 3-methylpicolinic acid

Avci, Davut; Alturk, Sumeyye; Sonmez, Fatih; Tamer, Omer; Basoglu, Adil; Atalay, Yusuf; Kurt, Belma Zengin; Dege, Necmi (ELSEVIER, 2020)

The Cr(III) and V(IV) complexes of 3-methylpicolinic acid (3-mpaH) were synthesized. The XRD and LC-MS/MS were performed to determine experimental geometric structure of the synthesized complexes. Their experimental spectral ...
Synthesis, spectral properties, in vitro alpha-glucosidase inhibitory activity and quantum chemical calculations of novel mixed-ligand M(II) complexes containing 1,10-phenanthroline

Avci, Davut; Alturk, Sumeyye; Sonmez, Fatih; Tamer, Omer; Basoglu, Adil; Atalay, Yusuf; Kurt, Belma Zengin; Dege, Necmi (WILEY, 2020)

A series of mixed-ligand M(II) complexes containing 1,10-phenanthroline (phen) and 3-methylpyridine-2-carboxylic acid (3-mpaH) or 6-methylpyridine-2-carboxylic acid (6-mpaH), namely [Co(3-mpa)(2)(phen)]center dot 3H(2)O ...