Necmi Dege

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• The scientist
• Professor at Ondokuz Mayıs University

Pyridine‐2‐carboxylic acid derivatives have emerged as promising candidates for nonlinear optical (NLO) applications due to their strong optical nonlinearity, thermal stability, and diverse coordination chemistry. In this study, we synthesized a novel manganese (II) complex with 4‐iodo‐pyridine‐2‐carboxylic acid (H4Ipca) and 5,5′‐dimethyl‐2,2′‐bipy...

Breast cancer continues to be a devastating disease worldwide, highlighting the critical need for new and effective treatments. Schiff bases are increasingly being used as powerful medications for a number of disorders. The current investigation concentrates on the synthesis and characterization of an alkynes allied Schiff bases 4(a–c) through spec...

The current study was aimed at synthesizing ( E )‐2‐(((3‐hydroxy‐4‐methylphenyl)imino)methyl)‐4,6‐diiodophenol ( 1 ) and ( E )‐3‐((2‐hydroxy‐3,5‐diiodobenzylidene)amino)‐4‐methylbenzoate ( 2 ). The modern spectral tools like UV–Vis, FTIR, and NMR were used to determine the structures, while a single X‐ray diffraction approach was employed to prove...

This study details the synthesis of a hydrazone-like compound with the chemical formula C23H20N2O3. The synthesis involved reacting benzilmonohydrazone with 2,4-dimethoxybenzaldehyde at 85°C for 3 hours. The mixture was cooled, filtered and washed with ethanol. The resultant solid was then recrystallized in a suitable solvent to isolate the desired...

In the present article, a selective and efficient sensor based on organosilane functionalized graphene oxide nanocomposites has been synthesized for the fluorometric detection of tyrosine (Tyr). The 1,2,3‐triazole functionalized organosilane has been synthesized by a condensation reaction between 4‐(methylthio) aniline and alkylated benzaldehyde fo...

The synthesis and characterization of a novel heteronuclear Salen complex, CuL–HgI2, are reported. The complex was characterized using a variety of analytical techniques, including FTIR, UV–Vis, and single-crystal X-ray diffraction. The X-ray diffraction analysis revealed a square planar geometry (CuN2O2) for the Cu(II) ion, with the deprotonated p...

In this study, we report the synthesis of (Z)-3-((Z)-3-phenylallylidene)benzo[4,5]imidazo[1,2-c]thiazole-1(3H)-thione (ThBMT). This compound belongs to an important group of molecules containing two or more heterocyclic moieties. ThBMT was experimentally characterized using IR and NMR spectroscopy. The absolute 3D structure of ThBMT was determined...

With excellent yield, high selectivity, and sensitivity new 1,4‐disubstituted 1,2,3‐triazoles (8a) and (8b) were synthesized via Cu(I) catalyzed click reaction stitching the hydrazone tethered azide moiety with two different alkyne probes. They were subsequently characterized by ¹H NMR, ¹³C NMR, mass spectrometry, and FT‐IR spectroscopy. In additio...

This study reports on the synthesis and characterization of a new thiadiazole derivative, (E)-N-(5-(2-nitrostyryl) -4-acetyl -4,5-dihydro -1,3,4-thiadiazol -2-yl) -N-phenylacetamide (ETDZ). The crystal structure was determined by single-crystal X-ray diffraction. ETDZ belongs to the monoclinic I2/a space group. The contribution of intermolecular in...

The molecule of N‐(4‐methoxyphenyl)‐N′‐methyl thiourea (NMTU) was synthesized and characterized through FT‐IR, UV–vis, and ¹H, ¹³C NMR analyses. Its absolute structure was established using single‐crystal X‐ray diffraction (SC‐XRD). The compound crystallizes in the P21/c space group of the monoclinic crystallographic system. Additionally, theoretic...

The synthesis of the 2,6-diphenyldpiperidin-4-one derivative of the title compound, 4,4a,5,6,7,8-hexahydro-4a-methyl-2,5,7-triphenyl-2H-pyrido[4,3-d][1,3]oxazine (HMTPO), was developed using the reaction of 4-hydroxy-3-methyl-2-butanone, benzaldehyde, and ammonium acetate in ethanol as a solvent. The molecular structure of HMTPO was determined by s...

This study explores the synthesis, crystal structure, Hirshfeld surface analysis, and molecular docking of 2-amino-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile-1,4-dioxane, a biologically relevant chromene derivative. The compound was synthesized via a one-pot multicomponent reaction, and X-ray diffraction confirmed its structure. H...

Schiff bases, which have intriguing properties in many areas, have been studied extensively in recent years due to their structural properties and biological activities. In this research, a novel water-soluble Schiff base complex, Catena-((μ6-(E)-2-((4-methoxy-2-oxidobenzylidene) ammonio) ethane-1-sulfonato potassium, C10H14KNO6S (CMOAESP), was syn...

(E)-3-(3-(2-methoxyphenyl)-4-methylthiazol-2(3H)-ylidene) benzo[4,5] imidazo [1,2-c] thiazole-1(3H)-thione (EMBIT) was synthesized and studied thoroughly by means of X-ray diffraction and molecular modeling. In this study, geometrical analysis together with FT-IR, NMR, and UV-Vis characterizations were performed. Using density functional theory and...

The reaction of [Formula: see text]-methylbenzaldehyde and 5,5-dimethyl-1,3-cyclohexanedione with the addition of HCl yielded 3,3,6,6-tetramethyl-9-([Formula: see text]-tolyl)-3,4,5,6,7,9-hexahydro-1[Formula: see text]-xanthene-1,8(2[Formula: see text]-dione (TTHD). X-ray diffraction method was used for verification of the crystal structure. Supram...

A novel series of metal complexes of 3d elements of the type, [MLCl2] [M = Ni(II), Cu(II) & Zn(II), L = ligand] produced from an ampyrone-based ligand was discussed. A thorough investigation was carried out using elemental analyses, LC-MS, FT-IR, 1H- & 13C NMR, and thermogravimetric analysis for the ligand and its complexes. The ligand was addition...

We studied the three-component condensation of 2-chloraldehyde, acetophenone, and thiourea in the presence of HCl and as a result, a new compound was obtained - 4,5-bis(2-chlorophenyl)-8a-phenylhexahydropyrimido[4,5-d]pyrimidine-2,7(1H,3H)-dithione (CPPD). The structure of the newly synthesized compound was confirmed by the X-ray diffraction method...

Molecular engineering of metal-organic frameworks has attracted increasing attention due to their potential technological applications in the fields of optics and photonics. Therefore, a number of organometallic complexes are investigated for nonlinear optical applications. The current research aimed to synthesize and investigate spectroscopic and...

Under ultrasound irradiation in an ethanol solvent, a new coordination complex of Cu(II) was successfully synthesized within a 10-min timeframe through the treatment of an imidazole-based ligand (PDI) with a copper-containing salt. The formation of the complex was verified through elemental (CHN) analysis and FT-IR spectroscopy. Additionally, the s...

Molecular engineering of metal-organic frameworks has recently attracted increasing attention due to their potential technological applications in the fields of optics and photonics. In addition to improved optical properties, the incorporation of metal ions into organic ligands makes it possible to control the intensity and polarization of the inc...

Please cite this article as: A. Moumad, A. Bouhaoui, M. Eddahmi, A. Hafid, N. Dege, M. Asam Raza, L. Bouissane, Structure-property relationship of N-substituted triazolonitroindazoles: A comprehensive study on linear and non-linear optics, as a function of quantum parameters employing density function theory, Abstract The reaction of 5-nitroindazol...

A novel coordination CuCl2(L)2 complex was synthesized by complexation of the 2-thiophenimidazoline ligand with CuCl2.2H2O in less than 10 min. The synthesis was done using ultrasound irradiation in an ethanol solvent. The complexation was confirmed using CHN and FT-IR analysis and linked to the theoretical IR and DFT calculations. The single-cryst...

In the current work, we report the synthesis and characterization of N-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)benzamide by reacting 4-aminoantipyrine and benzoylisothiocynate in equimolar ratio. Moreover, the compound was characterized by single crystal XRD analysis. The various intermolecular interactions stabilize...

Growth, theory and practice-based studies of 2,2′,2″-nitrilotris((E)-1-(2-hydroxyphenyl)-N-ethylmethanimine) manganese (III) crystals for electronic filters, opto-electronic functionalities The 2,2′,2″-nitrilotris((E)-1-(2-hydroxyphenyl)-N-ethylmethanimine)manganese(III) - NNE12HPNEMIM crystal is successfully grown in a period of nearly 7–8 days a...

Alzheimer's disease (AD) is a complex neurodegenerative disorder affecting the central nervous system. Current drugs for AD have limited effectiveness and often come with side effects. Consequently, there is a pressing need to develop new, safe, and more effective treatments for Alzheimer's disease. In this work, two novel benzil-hydrazone compound...

In the carbamate Schiff base compound, the molecule is stabilized by intramolecular hydrogen bonding interactions along with π···π stacking and C–H···π contacts that lead to the molecule generating diverse supramolecular architecture. The fingerprint plots associated with Hirshfeld surface analysis indicate that the most important contributions for...

The nitration reaction was applied to synthesize new substituted coumarin derivatives which undergo a reduction reaction to give the corresponding amino-coumarins. The structures of the nitro-coumarins and amino-coumarins were elucidated by ¹H, ¹³C NMR and infrared spectroscopy. The reactivity indices of the target molecules were computed with conc...

A novel compound (1E,1′E)-N,N′-(ethane-1,2-diyl)bis(1-(5-nitrothiophen-2-yl)methanimine) [EDNM] was synthesized from thiophene derivative in view to get multidentate ligand with potential biological activity. EDNM is characterized by FT-IR, 1H and 13C NMR and UV–Vis spectroscopic techniques and confirmed by SCXRD. EDNM crystallizes in the monoclini...

Coordination polymers (CPs) have been widely proven as sacrificial electrode materials for energy storage applications because of their high porosity, specific surface area and tunable structural topology. In this work, a new 2D Cu(II)-based CP, formulated as [Cu2(btc)(μ-Cl)2(H2O)4]n (CP-1) (H3btc = benzene-1,3,5-tricarboxylic acid), fabrication of...

A new organo-samarium complex [Sm(tfac)3(DPEPO)] (Sm1) has been synthesized by incorporating trifluoroacetylacetone (tfac) as the primary antenna ligand and bis(2-(diphenylphosphino)phenyl)ether oxide (DPEPO) as the ancillary ligand. The structure of the complex was established by single crystal X-ray diffraction (SC-XRD) analysis, which shows that...

The current work describes the synthesis, characterization, and theoretical investigation of a copper complex with a hydroxy functionalized Schiff base ligand. The complex [Cu(DHBEE)2] was characterized by UV–Visible, FT-IR, and mass spectrometry. The crystalline nature of [Cu(DHBEE)2] was examined using X-ray diffraction (XRD), revealing that t...

In this study, the synthesis and characterization of a new Schiff base molecule, (E)-1-(5-nitro-2-(piperidin-1-yl) phenyl)-N-(4-phenoxyphenyl) methanimine, were aimed. In addition, the molecular surface area, crystalline structure, intermolecular forces, electronic and spectroscopic properties of the molecule were investigated. Docking studies were...

The present study was designed to evaluate the in vitro and in silico potential of the Schiff bases (Z)-4-ethoxy-N-((5-nitrothiophen-2-yl)methylene)benzenamine (1) and (Z)-2,4-diiodo-6-((2-methyl-3-nitrophenylimino)methyl)phenol (2). These Schiff bases were synthesized according to a reported method using ethanol as a solvent, and each reaction was...

Novel Zn(II) and Ni(II) complexes, [Zn(MeOPic)2(H2O)2] and [Ni(MeOPic)2(H2O)2] (MeOHPic = 4‐methoxypyridine‐2‐carboxylic acid [4meOHPic]), have been prepared and characterized by X‐ray diffraction (XRD), Fourier transform infrared (FTIR), and ultraviolet–visible (UV–Vis) techniques. Crystal structure analysis demonstrated that the 4meOHPic ligand i...

The aim of this work was to scrutinize the physiochemical properties of a new pyridazin-3(2H)-one derivative with potential pharmaceutical effectiveness via density functional theory (DFT) and molecular docking analysis. The compound 2-(2-(4-fluorophenyl)-2-oxoethyl)-6-methyl-5-(4-methylbenzyl)pyridazin-3(2H)-one (FOMMP) was synthesized and charact...

A new organic–inorganic hybrid compound based on a rare β-isomer of Anderson polyoxomolybdates cluster with mixed cations, ammonium and hexamethylenetetramine has been synthesized by the slow-evaporation method. The hybrid material was characterized by single crystal X-ray diffraction, infrared spectroscopy, UV-Visible spectroscopy and thermogravim...

A new synthesis of N-(3-chloro-4-methylphenyl)-2-(3-nitrobenzamido)benzamide was developed in acetic acid as a solvent using the reaction of 3-choloro-4-methylaniline, and 2-(3-nitrophenyl)-4H-benzo-[1,3]oxazin-4-one. This method proved to be efficient in the synthesis of the bis amide compound in good yields and purity. The compound, C21H16ClN3O4,...

A novel non-linear optical organic–inorganic material based on three-dimensional (3D) Strandberg-type polyoxoselenomolybdate, (C 6 H 14 N 2 ) 2 [Se 2 Mo 5 O 21 ]·2.6 H 2 O ( I ) has been successfully obtained by solution process and characterized by scanning electron microscopy, infrared and ultraviolet spectroscopy, thermogravimetric analysis, cyc...

The Ag(I) and Cu(II) complexes of the ligand, 2,2′-(1,2,4-oxadiazole-3,5-diyl) dianiline, (L; 4) were synthesized and characterized using different spectroscopic techniques. Their anticancer activities against three types of cancer cell lines were explored. The [AgL (NO3)]n complex (5) has 1D polymeric structure whereas the [CuL (NO3)2] (6) and [Cu...