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Yazar "Ozdemir, Ismail" seçeneğine göre listele

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  • Küçük Resim Yok
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    Anticancer activities of manganese-based photoactivatable CO-releasing complexes (PhotoCORMs) with benzimidazole derivative ligands
    (SPRINGER, 2017) Ustun, Elvan; Ozgur, Aykut; Coskun, Kubra A.; Dusunceli, Serpil Demir; Ozdemir, Ismail; Tutar, Yusuf
    Carbon monoxide is an important signaling molecule which is produced by heme oxygenase-1. CO shows antiproliferative activity against cancer cells; hence, activation of HO-1 is a significant inhibition strategy against tumor formation and survival of cancer cells. In this work, manganese-based CO-releasing molecules (CORMs) were designed and synthesized to inhibit breast cancer cell proliferation. Human invasive ductal breast cancer cells (MCF-7) were treated with the synthesized CORMs to investigate the effect of the complexes on breast cancer survival under UV light. In vitro experiments indicated that the complexes inhibited breast cancer cell proliferation, and further, the antiproliferative effects were increased under UV light. Thus, these novel CORMs may provide a drug template for the treatment of invasive ductal breast cancer.
  • Küçük Resim Yok
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    ARYLATION OF ANILINE AND AMINES BY Pd-(N-HETEROCYCLIC CARBENE) COMPLEXES
    (PERGAMON-ELSEVIER SCIENCE LTD, 2017) Sahin, Neslihan; Dusunceli, Serpil Demir; Ozdemir, Ismail
    Aminoarenes constitute valuable building blocks in organic synthesis and an essential skeleton ubiquitously found in ligands, agrochemicals, and pharmaceuticals. This synopsis presents recent amination methods using nitrogen-heteroatom bonds as a powerful and versatile platform to rapidly synthesize diverse aminoarenes, with transition-metal catalyzed arene C-H amination. The Buchwald-Hartwig amination has been investigated theoretically and experimentally to examine the scope of possible bases under different reaction conditions. We report examples of the palladium NHC (N-heterocyclic carbene) catalyzed amination of aryl halides with anilines and amines in the presence of dimethoxyethane solvent and potassium tertiary-butoxide as a base.
  • Küçük Resim Yok
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    Arylation of heterocyclic compounds by benzimidazole-based N-heterocyclic carbene-palladium(II) complexes
    (Elsevier Science Sa, 2020) Sahin, Neslihan; Gurbuz, Nevin; Karabiyik, Hande; Karabiyik, Hasan; Ozdemir, Ismail
    Specific C-H bond can be activated for arylation using aryl halide without the aid of directing the group in the case of electron-rich heteroarenes. The ability to readily generate halo substituted arylated heteroarenes is important in organic chemistry since these species are important building blocks for biochemists. In this manuscript, we report the synthesis of PEPPSI type-novel benzimidazole-based N-heterocyclic carbene-palladium(II) complexes (2a-e). All of the new compounds were fully characterized by H-1, C-13{H-1} NMR and FT-IR spectra. The structures of 2c, 2d, and 2e were determined by X-ray crystallography and the prepared complexes (2a-e) were investigated as catalysts for the direct arylation of 2-n-propylthiazole, 4,5-dimethylthiazole and 2-acetylthiophene with various aryl bromides. High catalytic activity for arylation was seen reaction using only 0.5 mol% catalyst for 1 h. (C) 2019 Elsevier B.V. All rights reserved.
  • Küçük Resim Yok
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    C-H - H activation of furanyl and thiofuranyl substrates catalyzed by trans-dichloro[1-cinnamyl-3-arylmethyl-benzimidazol-2-yliden]pyridine palladium(II) complexes
    (Pergamon-Elsevier Science Ltd, 2024) Sahin, Neslihan; Zengin, Sametkerim; Ozdemir, Ismail; Semeril, David
    The present study explores the potential of six NHC-palladium(II) complexes derived from N-cinnamyl- N '- alkylbenzimidazolium salts, namely trans-dichloro[1,3-dicinnamyl-benzimidazol-2-yliden]pyridine palladium(II) (3a), 3a ), trans-dichloro[1-cinnamyl-3-benzyl-benzimidazol-2-yliden]pyridine palladium(II) (3b), 3b ), trans-dichloro[1- cinnamyl-(fluorobenzyl)-benzimidazol-2-yliden]pyridine- 2-yliden]pyridine palladium(II) (2-fluorobenzyl 3c , 3-fluorobenzyl 3d and 4-fluorobenzyl 3e ,) and trans-dichloro[1-cinnamyl-(4-nitrobenzyl)-benzimidazol-2-yliden]pyridine palladium(II) (3f), 3f ), as precatalyst for the cross-coupling reactions between furanyl and thiofuranyl derivatives and arylbromides via C-H - H activation of the heterocycles. The structure of the six palladium(II) complexes has been elucidated through the use of multinuclear NMR, FT-IR and mass spectroscopy. Furthermore, the square-planar geometry of the organometallic ion was confirmed by single crystal X-ray diffraction study carried out on complex 3c . The latter complex proved to be the most effective precatalyst agent, with observed conversions higher than 78% when 4-bromoacetophenone and 1-bromonaphthalene were employed.
  • Küçük Resim Yok
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    CO-releasing properties and anticancer activities of manganese complexes with imidazole/benzimidazole ligands
    (TAYLOR & FRANCIS LTD, 2016) Ustun, Elvan; Ozgur, Aykut; Coskun, Kubra A.; Demir, Serpil; Ozdemir, Ismail; Tutar, Yusuf
    Carbon monoxide (CO) is an important signaling molecule which plays significant roles in the pathogenesis of cancer. CO is produced by enzymatic degradation of heme in mammals. Heme oxygenase 1 (HO-1) catalyzes the breakdown of heme into CO, ferrous iron, and biliverdin. CO induces HO-1 and inhibits cell proliferation. Cancer cells exposed to several stress factors (hypoxia, reactive oxygen species, cis-platin, and oxidative stress), and HO-1 displays cytoprotective role against oxidative stress and inhibits apoptosis, metastases, angiogenesis, and cell proliferation processes. Therefore, metal containing CO-releasing molecules (CORMs) have been designed as an effective cancer treatment strategy. CORMs are responsible for releasing controlled amounts of CO to cells and tissues. Thus, we synthesized [Mn(CO)(3)(bpy)L]X manganese containing CORMs [bpy=2,2-bipyridine, X=hexafluorophosphate (PF6), trifluoromethanesulfonate (OTf), L=imidazole, methylimidazole, benzimidazole, N-benzylbenzimidazole, N-(4-chlorobenzyl)benzimidazole] to release CO in human invasive ductal breast (MCF-7) cell line. In vitro experiments indicated that the compounds inhibited cell proliferation and exhibited cytotoxic effect on breast cancer cells. Moreover, side groups of the compounds enhanced the anticancer effects in MCF-7 cell line. These manganese containing CORMs gave promising results and may be used as a drug template for effective treatment of invasive ductal breast carcinoma. [GRAPHICS] .
  • Küçük Resim Yok
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    Copper-Catalysed Allylic Substitution Using 2,8,14,20-Tetrapentylresorcinarenyl-Substituted Imidazolium Salts
    (WILEY-V C H VERLAG GMBH, 2015) Kaloglu, Murat; Sahin, Neslihan; Semeril, David; Brenner, Eric; Matt, Dominique; Ozdemir, Ismail; Kaya, Cemal; Toupet, Loic
    Unsymmetrical imidazolium salts, each having one nitrogen atom (N1) substituted by a cavity-shaped TPR group (TPR = 2,8,14,20-tetrapentylresorcinaren-5-yl), were tested in situ as proligands for the copper-catalysed allylic arylation of cinnamyl bromide with arylmagnesium halides. The catalytic systems produced mixtures of linear (l) and branched (b) arylated compounds in variable proportions, with the b/l ratio being the highest (78:22) for the most crowded imidazolium salt used, namely that in which the second nitrogen atom (N2) was substituted by a mesityl group. An N-heterocyclic carbene complex obtained from one of the imidazolium salts was characterised by an X-ray diffraction study.
  • Küçük Resim Yok
    Öğe
    Design, synthesis, antimicrobial activity and molecular docking study of cationic bis-benzimidazole-silver(I) complexes
    (Wiley-V C H Verlag Gmbh, 2023) Ustun, Elvan; Sahin, Neslihan; Ozdemir, Ilknur; Gunal, Selami; Gurbuez, Nevin; Ozdemir, Ismail; Semeril, David
    Two series of bis(1-alkylbenzimidazole)silver(I) nitrate and bis(1-alkyl-5,6-dimethylbenzimidazole)silver(I) nitrate complexes, in which the alkyl substituent is either an allyl, a 2-methylallyl, an isopropyl or a 3-methyloxetan-3-yl-methyl chain, were synthesized and fully characterized. The eight N-coordinated silver(I) complexes were screened for both antimicrobial activities against Gram-negative (Escherichia coli, Pseudomonas aeruginosa, Klebsiella pneumoniae, and Acinetobacter baumannii) and Gram-positive (Staphylococcus aureus, Staphylococcus aureus MRSA, and Enterococcus faecalis) bacteria and antifungal activities against Candida albicans and Candida glabrata strains. Moderate minimal inhibitory concentrations (MIC) of 0.087 & mu;mol/mL were found when the Gram-negative and Gram-positive bacteria were treated with the silver complexes. Nevertheless, MIC values of 0.011 & mu;mol/mL, twice lower than for the well-known fluconazole, against the two fungi were measured. In addition, molecular docking was carried out with the structure of Escherichia coli DNA gyrase and CYP51 from the pathogen Candida glabrata with the eight organometallic complexes, and molecular reactivity descriptors were calculated with the density functional theory-based calculation methods.
  • Küçük Resim Yok
    Öğe
    Dichloro-bis[(Z)-1-styryl- benzimidazole]-zinc(II)
    (MDPI, 2024) Sahin, Neslihan; Ozdemir, Ismail; Semeril, David
    We have successfully synthesized the dichloro-bis[(Z)-1-styryl-benzimidazole]-zinc(II) complex, which was fully characterized by IR, elemental analysis, and mass and NMR spectroscopy. The solid-state structure definitively shows that two benzimidazole moieties are coordinated to the zinc atom, which adopts a tetrahedral geometry.
  • Küçük Resim Yok
    Öğe
    Direct arylation of heteroarenes by PEPPSI-type palladium-NHC complexes and representative quantum chemical calculations for the compound which the structure was determined by X-ray crystallography
    (Taylor & Francis Ltd, 2019) Sahin, Neslihan; Serdaroglu, Goncagul; Dusunceli, Serpil Demir; Tahir, Muhammad Navaz; Arici, Cengiz; Ozdemir, Ismail
    In this study, we synthesized five new PEPPSI-type Pd-NHC complexes with high yields around 78-83%. The structures of all complexes were characterized by FT-IR, H-1 NMR, and C-13{H-1} NMR spectroscopies. Further, the structure of 2c was determined by X-ray crystallography. The single-crystal structure of 2c shows that coordination geometry around Pd is distorted square planar. The Pd-NHC complexes were efficient catalysts for the direct C5-arylation of 2-n-butylthiazole, 2-n-butylfuran, and 2-n-butylthiophene with various aryl-bromides and showed high catalytic activity for arylation reaction using only 1 mol% catalyst loading at 130 degrees C for 1 h. The conversions for substrates containing electron-withdrawing groups were higher than for substituents containing electron-donating groups. In order to evaluate the catalytic activity of the complexes, representative electronic and spectroscopic simulations by DFT method have been performed for 2c. NBO analysis has revealed that the strongest interaction contributing to the lowering of the molecular stabilization energy for 2c is predicted as pi(C11-N27) -> pi*(N26-C28) with E-(2) = 73.93 kcal mol(-1). In addition, FMO analysis has implied that 2c is more chemically reactive because of its lower energy gap value. According to the other quantum chemical parameters, 2c is softer, better electrophile and has more charge-transfer capability than 1c.
  • Küçük Resim Yok
    Öğe
    First used of Alkylbenzimidazole-Cobalt(II) complexes as a catalyst for the N -Alkylation of amines with alcohols under solvent -free medium
    (Elsevier Science Sa, 2020) Sahin, Neslihan; Yildirim, Ilkay; Ozdemir, Namik; Gurbuz, Nevin; Ozdemir, Ismail
    [Abstract Not Available]
  • Küçük Resim Yok
    Öğe
    In vivo evaluation of the genotoxic effects of clomiphene citrate on rat reticulocytes: A micronucleus genotoxicity
    (KARGER, 2006) Duran, Bulent; Ozdemir, Ismail; Demirel, Yeltekin; Ozdemir, Ozturk; Cetin, Ali; Guven, Aysel
    Objective: To determine the genotoxic effects of clomiphene citrate (CC) on rat reticulocytes in vivo. Methods: In this prospective, randomized, controlled study, rats were each assigned randomly to the CC 50, CC 100, CC 200, or control group and were given repeat doses of 0.16, 0.32 or 0.64 mg CC, or normal saline, respectively. Each study group received its CC dose in 2 ml of saline intraperitoneally for 5 days, while the control group received only 2 ml of saline. Each treatment cycle was repeated six times. Six months later, the rats were euthanized. Bone marrow tissues were removed, and pluripotent reticulocyte cells with micronuclei, nuclear buds, and binuclear abnormalities were analyzed using an in situ micronuclei assay under light microscopy. The proportion of micronucleated erythrocytes was measured. Results: Fewer cells with nuclear buds and binuclear abnormalities were detected in the CC 50 group and controls. The CC 100 and 200 groups had significantly (p < 0.05) more nuclear buds and binuclear abnormalities compared with the CC 50 group and controls in the cytogenetic analysis of bone marrow stem cells. Conclusion: In rats, the micronucleus genotoxicity assay suggests a dose-dependent CC effect on genomic instability in bone marrow stem cells in vivo. Copyright (c) 2006 S. Karger AG, Basel.
  • Küçük Resim Yok
    Öğe
    Molecular docking and electronic transition analysis of novel [Re(bbim)(bpy)(CO)3]OTf complex as a CO-releasing molecule
    (Scientific Publ-India, 2019) Ustun, Elvan; Celebi, Mutlu Sonmez; Sahin, Neslihan; Dusunceli, Serpil Demir; Ozdemir, Ismail
    Synthesis of CO-releasing molecules that safely deposit/transport CO has attracted great attention after the discovery of therapeutic properties of carbon monoxide, which is known to be a toxic gas. Metal carbonyl complexes seem to be the most important alternative as CO-releasing molecules. Recent developments in computational chemistry make it possible to gain many information about the properties of complexes before being synthesized. On the other hand, molecular docking methods can also give valuable information about the interaction of the molecules with tissue. The metal carbonyl complexes that were synthesized as a CO-releaser interact primarily with blood proteins when they enter the tissue; therefore, the theoretical analysis of the interaction of complexes with blood proteins can give useful information. In this study, [Re(bbim)(bpy)(CO)(3)]OTf (bbim: benzylbenzimidazole; bpy: 2,2'-bipyridyl, OTf: SO3CF3) complex was synthesized, characterized, analyzed by DFT/TDDFT based calculation method and docked into human serum albumin.
  • Küçük Resim Yok
    Öğe
    Palladium-Catalyzed Cross-Coupling Reaction via C-H Activation of Furanyl and Thiofuranyl Substrates
    (Mdpi, 2024) Sahin, Neslihan; Ozdemir, Ismail; Semeril, David
    The present study explores the potential of four NHC-palladium(II) complexes derived from (Z)- or (E)-styryl-N-alkylbenzimidazolium salts, namely trans-dichloro-[(Z)-1-styryl- 3-benzyl-benzimidazol-2-yliden]pyridine palladium(II) (6), trans-dichloro-[(E)-1-styryl-3-benzyl- benzimidazol-2-yliden]pyridine palladium(II) (7), trans-dichloro-[(Z)-1-styryl-3-(3-fluorobenzyl)- benzimidazol-2-yliden]pyridine palladium(II) (8) and trans-dichloro-[(E)-1-styryl-3- (3-fluorobenzyl)-benzimidazol-2-yliden]pyridine palladium(II) (9), to be use as pre-catalysts for the cross-coupling reactions between furanyl or thiofuranyl derivatives and arylbromides via the C-H activation of the heterocycles. The structures of the four Pd(II) complexes have been elucidated through the use of multinuclear NMR, FT-IR and mass spectroscopy. Furthermore, the cis or trans conformation of the styryl substituents and the geometry of two different compounds was substantiated by single-crystal X-ray diffraction, which was carried out on organometallic species 6, 8 and 9. After the optimization of catalytic conditions, which was carried out with 1 mol% of pre-catalyst with KOAc as a base in dimethylacetamide at 120 degrees C for 3 h, complex 6 proved to be the most effective pre-catalyst agent, with full or quasi full conversions being observed in the cross-coupling of 4-bromoacetophenone with 2-butylfuran, 1-(2-furanyl)-ethanone, furfuryl acetate, furfural, 1-(2-thienyl)-ethanone, thenaldehyde and 2-methylthiophene.
  • Küçük Resim Yok
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    Resorcinarene-Functionalised Imidazolium Salts as Ligand Precursors for Palladium-Catalysed SuzukiMiyaura Cross-Couplings
    (WILEY-V C H VERLAG GMBH, 2013) Sahin, Neslihan; Semeril, David; Brenner, Eric; Matt, Dominique; Ozdemir, Ismail; Kaya, Cemal; Toupet, Loic
    Three imidazolium salts based on a rigid resorcinarene platform (13) were synthesised and used as catalyst precursors in the SuzukiMiyaura cross-coupling of aryl halides with phenylboronic acid. In these pro-carbene ligands, the heterocyclic moiety has one N atom connected to a C2 atom of a resorcinolic ring, and the other is substituted by an alkyl group (R=n-propyl, iso-propyl, benzyl). The methinic C atoms of the macrocyclic core are all substituted by a pentyl group. The best catalytic performances were obtained by using an imidazolium/Pd ratio of 1:1. The catalytic systems displayed high activities, which increased in the order R=n-propyl(1)
  • Küçük Resim Yok
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    Subtle Steric Effects in Nickel-Catalysed Kumada-Tamao-Corriu Cross-Coupling Using Resorcinarenyl-Imidazolium Salts
    (WILEY-V C H VERLAG GMBH, 2013) Sahin, Neslihan; Semeril, David; Brenner, Eric; Matt, Dominique; Ozdemir, Ismail; Kaya, Cemal; Toupet, Loic
    Three resorcinarene-cavitands bearing a 3-R-1-imidazolylium substituent (R = alkyl) grafted to the wider rim of the cavitand (1-3) were assessed in the Kumada-Tamao-Corriu cross-coupling of aryl halides with arylmagnesium halides. Their combination with [Ni(cod)(2)] (cod = 1,5-cyclooctadiene; 1:1 stoichiometry) resulted in highly efficient catalysts, the activities of which varied in the following order: R = n-propyl (1) < isopropyl (2) approximate to benzyl (3). A remarkable turnover frequency of 60400 mol(ArX) mol(Ni)(-1) h(-1) was obtained in the coupling of 2-bromo-6-methoxynaphthalene with PhMgBr (100 degrees C in dioxane, with precursor 2). The high activities of the cavitand derivatives were attributed to steric effects that facilitate the reductive-elimination/product decoordination step. Comparative experiments carried out with a structurally modified resorcinarene, as well as cavity-free imidazolium salts bearing 2-methoxyaryl substituents, suggest that the efficiency of the catalysts mainly relies on steric interactions between the metal and the flexible substituents attached to two methine carbon atoms. These steric interactions are probably reinforced each time the metal binds one of the two oxygen atoms located next to the catalytic centre.
  • Küçük Resim Yok
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    Synthesis and use of trans-dichlorido-tetrakis-(N-R-imidazole)nickel(II) complexes in Kumada-Tamao-Corriu cross-coupling reactions
    (PERGAMON-ELSEVIER SCIENCE LTD, 2011) Sahin, Neslihan; El Moll, Hani; Semeril, David; Matt, Dominique; Ozdemir, Ismail; Kaya, Cemal; Toupet, Loic
    Two dichlorido-tetrakis-(N-R-imidazole)nickel(II) complexes (R = 2,6-diisopropylphenyl (1): methyl (2)) have been synthesised. A single crystal X-ray diffraction study was carried out for 1, which revealed a centrosymmetric complex with the nickel centre placed in an octahedral coordination environment. Both complexes showed high activities (TOFs up to 60200 mol(ArBr) mol(Ni)(-1) h(-1)) in Kumada-Tamao-Corriu cross-coupling of arylhalides with arylgrignards. No significant differences in activity were observed between the two complexes. (C) 2011 Elsevier Ltd. All rights reserved.
  • Küçük Resim Yok
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    Synthesis of 1,3-Disubtitituted Tetrahydropyrimidinium Salts and Determination of Their Biological Properties and Molecular Docking
    (Wiley-V C H Verlag Gmbh, 2024) Karaca, Emine Ozge; Gurbuz, Nevin; Demir, Yeliz; Tuzun, Burak; Ozdemir, Ismail; Gulcin, Ilhami
    Several of 3,4,5,6-tetrahydropyrimidinium salts with 1-methyl functionalization are produced. By using techniques for 1H-NMR, 13C-NMR, and IR spectroscopy, all compounds were investigated. Additionally, these compounds' abilities to block enzymes were looked into. They had a highly effective inhibitory effect on the isoenzymes of carbonic anhydrases I and II, butyrylcholinesterase (BChE), and acetylcholinesterase (AChE). Ki values were found in the range of 57.43 +/- 7.09-170.09 +/- 50.91 nM for AChE, 7.19 +/- 0.42-69.08 +/- 2.44 nM for BChE, and 46.48 +/- 5.74-203.38 +/- 46.15 nM for hCA I, and 30.19 +/- 4.03-171.96 +/- 30.27 nM for hCA II. As a result, 1,3-disubtitituted tetrahydroprimidinium salts exhibited potent inhibition profiles toward indicated metabolic enzymes. One of the most important methods for designing and creating novel, potent medications to treat Alzheimer's disease (AD) worldwide is the synthesis and discovery of new AChE and BChE inhibitors. The activities of synthesized 3,4,5,6-tetrahydropyrimidinium salts were compared against various proteins that are crystal structure of AChE (PDB ID: 4 M0E), crystal structure of BChE (PDB ID: 5NN0), crystal structure of hCA I (PDB ID: 2CAB), and crystal structure of hCA II (PDB ID: 3DC3), and then the drug properties of these molecules were examined. In this study, we have designed and synthesized a series of 1,3-disubtitituted tetrahydropyrimidinium salts were synthesized and characterized by IR and NMR spectra. These compounds were evaluated against the AChE, BChE, hCA I and hCA II enzymes. These compounds showed good enzyme inhibition profiles. The activities of the investigated 1,3-disubstituted tetrahydropyrimidinium salts were compared to the theoretical calculations results using molecular docking. image
  • Küçük Resim Yok
    Öğe
    Synthesis, antimicrobial and antibiofilm activities of silver(I) complexes with N-alkylbenzimidazole derivatives and their protein interaction modelling study
    (Elsevier, 2025) Sahin, Neslihan; Mosrati, Mohamed Ali; Merghni, Abderrahmen; Ozdemir, Ismail; Sellami, Hayet; Bedchiche, Kawther; Krayiem, Salim
    This study investigates the antimicrobial and antibiofilm potential of three silver(I) complexes derived from Nalkylbenzimidazole derivatives: bis[(Z)-1-styryl-benzimidazole]silver(I) nitrate (4), bis[(E)-1-styryl-benzimidazole]silver(I) nitrate (5), and bis(1-cinnamyl-benzimidazole)silver(I) nitrate (6). Detailed synthesis and characterization of these complexes are followed by assessments of their efficacy against Staphylococcus aureus, Enterococcus faecalis, Pseudomonas aeruginosa, Escherichia coli, and Candida albicans. Among the tested compounds, complex 6 exhibited the highest antimicrobial activity, with a minimal inhibitory concentration of 6 mu mol/L against P. aeruginosa, and significant antibiofilm activity, achieving 67.72 % inhibition at a concentration of 3 mu mol/L. These interesting findings led us to conduct a molecular docking study to understand the mechanisms of action by investigating the interactions between the silver(I) complexes and some key protein targets involved in bacterial and fungal biofilm formation, including (p)ppGpp synthetase/hydrolases, FtsZ proteins, and pyruvate kinases. This comprehensive approach, combining experimental and computational analyses derived from N-alkylbenzimidazole derivatives, particularly complex 6, which exhibits remarkable efficacy against various pathogens, reveals promising therapeutic applications of these silver(I) complexes and advances our understanding of their potential mode of action against biofilm-associated infections.
  • Küçük Resim Yok
    Öğe
    Synthesis, spectral, X-ray diffraction and DFT studies on 1-(2-methyl-2-propenyl)-3-(2,3,4,5,6-pentamethylbenzyl)benzimidazolium chloride hydrate
    (TAYLOR & FRANCIS LTD, 2018) Sahin, Neslihan; Kilic-Cikla, Isin; Ozdemir, Namik; Gurbuz, Nevin; Ozdemir, Ismail
    A new benzimidazole based N-heterocyclic carbene (NHC) salt (1) was synthesized by the reaction of benzimidazole precursor with alkyl halide. The structure of 1 was determined by elemental analysis, FT-IR, H-1 NMR and C-13 NMR spectroscopy tecniques and X-ray crystallography. The compound crystallized in the triclinic space group P-1 with two molecules in the unit cell. The optimization of 1 was firstly performed at B3LYP/6-311G++(d,p) level, then the theoretical spectral studies performed and compared with the experimental values. Besides the frontier molecular orbital energies and chemical reactivity analysis of 1, together with the electrostatic potential and molecular electrostatic potential analyses were performed at the same level of theory.
  • Küçük Resim Yok
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    The Dichloro-Bis(1-cinnamyl-benzimidazole)-Cobalt(II)
    (MDPI, 2024) Sahin, Neslihan; Ozdemir, Ismail; Semeril, David
    Dichloro-bis(1-cinnamyl-benzimidazole)-cobalt(II) was prepared in one step using a cobalt precursor CoCl2 and corresponding substituted benzimidazole. The complex was fully characterized using IR, elemental analysis, and mass- and NMR spectroscopy. In the solid state, the cobalt atom displays a typical tetrahedral geometry and is coordinated to two chlorine atoms and two benzimidazole moieties.
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