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    Dichlorotriethylphosphine-[N-formyl-N,N'-bis(3,4-dimethoxy)benzyl-trimethylenediamine] platinum(II)
    (Pleiades Publishing Inc, 2014) Sahin, O.; Ozcan, E. O.; Gurbuz, N.; Ozdemir, I.; Buyukgungor, O.
    By treatment of 1,3-bis(3,4-dimethoxybenzyl)-3,4,5,6-tetrahydropyrimidinium chloride (1) with KOBu (t) and [PtCl2(PEt3)(2)](2) N-coordinated platinum complex (2) is obtained. The Pt atom is coordinated in square planar arrangements by two chloride ions in a trans-configuration, the N-formyl-N,N'-bisaryltrimethylenediamine nitrogen atom, and the phosphine P atom. An extensive three-dimensional network of three C-HaEuro broken vertical bar O hydrogen bonds, two C-HaEuro broken vertical bar pi and one pi aEuro broken vertical bar pi interactions are responsible for the crystal stabilization. Intermolecular hydrogen bonds and C-HaEuro broken vertical bar pi interactions produce R (2) (2) (6), R (2) (2) (22), R (2) (2) (24), R (3) (3) (23), R (4) (4) (26), and R (4) (4) (32) rings.
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    EXPERIMENTAL AND THEORETICAL CHARACTERIZATION OF 3-(3,5-DIMETHYLBENZYL)-1-METHYL-3,4,5,6-TETRAHYDROPYRIMIDINIUM TRICHLORIDO(?6-p-CYMENE)RUTHENATE(II)
    (Pleiades Publishing Inc, 2023) Ozdemir, N.; Karaca, E. O.; Gurbuz, N.; Ozdemir, I.
    In this study, the title compound was synthesized, and its structure was illuminated by X-ray diffraction, H-1 and C-13 NMR spectroscopy methods. X-ray study shows that the crystal structure is stabilized by intermolecular C-H & ctdot;Cl hydrogen bonds. Quantum mechanical approach was carried out to study the molecular structure, NMR spectra and stability of the compound by using Density Functional Theory (DFT) with HSEH1PBE functional and LanL2DZ basis set. Hirshfeld surface analysis was used as theoretical approach to assess driving force for crystal structure formation via the intermolecular interactions in the crystal lattice. In addition, chemical reactivity and kinetic stability of the molecule based on frontier molecular orbital analysis were investigated.
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    Five complexes containing N,N-bis(2-hydroxyethyl)-ethylenediamine with tetracyanidopalladate(II): synthesis, crystal structures, thermal, magnetic, and catalytic properties
    (Taylor & Francis Ltd, 2013) Korkmaz, S. Aslan; Karadag, A.; Korkmaz, N.; Andac, O.; Gurbuz, N.; Ozdemir, I.; Topkaya, R.
    Five cyanide complexes, [Ni(N-bishydeten)Pd(CN)(4)] (1), [Cu(N-bishydeten)Pd(-CN)(2)(CN)(2)](n) (2), [Cu(N-bishydeten)(2)][Pd(CN)(4)] (3), [Zn(N-bishydeten)Pd(CN)(4)] (4), and [Cd(N-bishydeten)(2)][Pd(CN)(4)] (5) (N-bishydeten = N,N-bis(2-hydroxyethyl)-ethylenediamine), have been synthesized and characterized using various techniques. Different structures were formed when the M:L ratio was varied in copper complexes. The single-crystal X-ray diffraction analysis reveals that 2, a 1-D cyanide-bridged complex with 2,2-CT-type zigzag chain, was obtained by using 1:1M:L ratio whereas 3 was formed as a complex salt in a molar ratio of 1:2. The thermal stabilities determined from DTG(max) values of the first decomposition stages change in the order 1>5>4>3>2. Although an EPR signal was not observed for 1, the g parameters obtained from the EPR spectra of 2 and 3 indicate that Cu-II ions are located in tetragonally distorted octahedral sites (D-4h), and the ground state of the unpaired electron is (B-2(1g)). The magnetic behavior indicates a very small antiferromagnetic interaction below 10K for 1-3. In 3, there is a temperature-independent paramagnetism () due to the orbital moments of the d electrons. 1-3 were tested as catalysts in Suzuki and Heck coupling reactions.
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    Mono- and dinuclear Pd(II) complexes of different salicylaldimine ligands as catalysts of transfer hydrogenation of nitrobenzene with cyclohexene and Suzuki-Miyaura coupling reactions
    (Elsevier Science Sa, 2009) Tas, E.; Kilic, A.; Durgun, M.; Yilmaz, I.; Ozdemir, I.; Gurbuz, N.
    In this study, the synthesis, spectroscopic, catalytic, and electrochemical properties of salicylaldimine Schiff-base ligands (L-n) and their dinuclear Pd(II) complexes for L-1 and L-2 ligands with mononuclear Pd(II) complexes for L-3 and L-4 ligands were investigated. The ligands and their mono- or dinuclear Pd(II) complexes were characterized by FT-IR, UV-Vis, H-1 NMR and elemental analysis, as well as through magnetic susceptibility and spectroelectrochemical techniques. The catalytic studies showed that the introduction of tert butyl groups on the salicyl ring of the molecules increased the catalytic activity towards hydrogenation of nitrobenzene and cyclohexene in DMF at 25 and 45 degrees C. It was also observed that the steric hindered mono- and dinuclear Pd( II) complexes were thermally stable complexes and were not sensitive to air or the moisture. The complexes were easily prepared from cheap materials that could be used as versatile and efficient catalysts for different C-C coupling reactions (Suzuki-Miyaura reactions). (C) 2008 Elsevier B.V. All rights reserved.
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    N-Heterocyclic carbene-palladium-PEPPSI complexes and their catalytic activity in the direct C-H bond activation of heteroarene derivatives with aryl bromides: synthesis, and antimicrobial and antioxidant activities
    (Royal Soc Chemistry, 2021) Hamdi, N.; Slimani, I.; Mansour, L.; Alresheedi, Faisal; Gurbuz, N.; Ozdemir, I.
    In this study, a series of unsymmetrical 1,3-disubstituted benzimidazolium chlorides 2a-g with two nitrogen atoms substituted by different alkyl groups were synthesized in high yields as N-heterocyclic carbene (NHC) precursors. These benzimidazolium salts were then converted into the corresponding Pd-NHC complexes of the PEPPSI family (PEPPSI = pyridine-enhanced precatalyst preparation, stabilization, and initiation) 3a-g. The structures of all compounds were characterized by H-1 nuclear magnetic resonance (NMR) spectroscopy, C-13 NMR spectroscopy, infrared spectroscopy, and elemental analysis, which support the proposed structures. The structure of the 3c complex was determined by X-ray crystallography. More detailed structural characterization of the 3c complex was performed through single-crystal X-ray diffraction, which supports the proposed structures. The Pd-NHC-PEPPSI complexes were used as catalysts in the direct C-5-arylation of 2-acetyl furan, 2-acetylthiophene, and 2n-propylthiazole with different aryl bromides. These complexes exhibited moderate-to-high catalytic activities and selectively at the C-5 position. Furthermore, the Pd-NHC-PEPPSI complexes were evaluated for their potential antibacterial properties against a panel of bacterial strains, such as Micrococcus luteus, Listeria monocytogenes, Salmonella typhimurium, Staphylococcus aureus, Candida albicans, and Pseudomonas aeruginosa. The Pd-NHC-PEPPSI complex 3f showed better activity than ampicillin against Micrococcus luteus, with an MIC of 0.035 mg mL(-1). In addition, the antioxidant activities of the complexes 3d and 3f showed considerable free radical scavenging activity.
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    Ring-expanded iridium and rhodium N-heterocyclic carbene complexes: a comparative DFT study of heterocycle ring size and metal center diversity
    (Taylor & Francis Ltd, 2017) Karaca, E. O.; Akkoc, M.; Oz, E.; Altin, S.; Dorcet, V.; Roisnel, T.; Gurbuz, N.
    A new series of ring-expanded six-and seven-membered N-heterocyclic carbene precursors (re-NHCs) and their transition metal complexes were synthesized. The basic properties of the synthesized materials were investigated by density functional theory (DFT). The six- and seven-membered re-NHCs were synthesized in good yield via reaction of the corresponding alkyldibromides or alkyldiiodides with N,N'-bis-(2-phenylbenzene)formamidine in the presence of K2CO3 under aerobic conditions. Complexes, represented by the formula [ML1,2(COD)Cl] (where M = Ir or Rh and L is a ring-expanded N-heterocyclic carbene ligand), were synthesized in the presence of the corresponding free carbene and iridium or rhodium metal precursors in tetrahydrofuran. All new re-NHC complexes were characterized by different analytical techniques, including NMR spectroscopy, X-ray diffraction, UV spectroscopy and elemental analysis. According to molecular electrostatic potential calculations, the electrophilic properties of the complexes were aligned, from highest to lowest, as Ir-6-DiPh, Rh-6-DiPh and Ir-7-DiPh. The HOMO, LUMO and energy gaps of the complexes were calculated by DFT. On the basis of the DFT analysis, it can be predicted that Rh-6-DiPh is the most stable complex and Ir-7-DiPh is more reactive than Ir-6-DiPh. [GRAPHICS] .
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    Substituted N-heterocyclic carbene PEPPSI-type palladium complexes with different N-coordinated ligands: Involvement in the direct C-H bond activation of heteroarenes derivatives with aryl bromide and their antimicrobial, anti-inflammatory and antioxidant activities
    (Elsevier Science Sa, 2022) Slimani, I; Boubakri, L.; Ozdemir, N.; Mansour, L.; Ozdemir, I; Gurbuz, N.; Yasar, S.
    In this study new benzimidazolium salt as N-heterocyclic carbene precursors and their related new PEPPSI-Pd (II)-N-heterocyclic carbene (NHC) complexes 3a-e were prepared and caracterized. The structures of all compounds have been characterized by H-1 NMR, C-13 NMR, and IR spectroscopy, as well as elemental analysis techniques and Direct analysis in real time (DART)-time-of-flight mass spectrometry (TOF-MS), which support the proposed structures. Further confirmations of structural details were provided by a single-crystal X-ray. A single crystal of PEPPSI-Pd(II)-N-heterocyclic carbene (NHC) complex 3c shows that the coordination geometry around Pd slightly distorted square-planar geometry. Next, the PEPPSI-Pd(II)-N-heterocyclic carbene (NHC) complexes 3a-e were used as catalysts in the direct C-5-arylation of 2-acetyl furan and 2-acetylthiophene with various aryl bromides. These complexes exhibited moderate to high catalytic activities and gave C-H activation selectively at the C-5-position. Further, PEPPSI-Pd(II)-N-heterocyclic carbene (NHC) complexes 3a-e have been evaluated for their potential antibacterial properties against a panel of bacterial strains namely, Micrococcus luteus, Listeria monocytogenes, Salmonella Typhimurium, Staphylococcus aureus, candida albican and pseudomonas aeruginosa. In addition; these new PEPPSI-Pd(II)-N-heterocyclic carbene (NHC) complexes 3a-e were investigated for anti-oxidant activities by super oxide radical; DPPH (2,2-Diphenyl-1-picrylhydrazyl); and hydroxyl radical scavenging assays; in which most of them displayed significant antioxidant activities. Furthermore; PEPPSI-Pd(II)-N-heterocyclic carbene (NHC) complexes 3a-e were evaluated for anti-inflammatory activity by indirect haemolytic and lipoxygenase inhibition assays and revealed good activity.