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Yazar "Yasar, Sedat" seçeneğine göre listele

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  • Küçük Resim Yok
    Öğe
    1,3-Bis(4-tert-butylbenzyl)-4,5-dihydroimidazolium chloride monohydrate
    (Int Union Crystallography, 2009) Arslan, Hakan; VanDerveer, Don; Yasar, Sedat; Ozdemir, Ismail; Cetinkaya, Bekir
    In the title compound, C25H35N2+center dot Cl-center dot H2O,the imidazolidine ring adopts a twisted conformation, with a pseudo-twofold axis passing through the N-C-N carbon and the opposite C-C bond. The N-C-N fragment of the imidazolidine ring shows some degree of both double- and single-bond character due to partial electron delocalization. One of the tert-butyl groups is disordered over two conformations with occupancies of 0.714 (8) and 0.286 (8). In the crystal, O-H center dot center dot center dot Cl and C-H center dot center dot center dot O hydrogen bonds help to establish the packing.
  • Küçük Resim Yok
    Öğe
    1-(2-Phenylbenzyl)-3-(2,4,6-trimethylbenzyl)imidazolidinium bromide
    (Wiley-Blackwell Publishing, Inc, 2009) Arslan, Hakan; VanDerveer, Don; Yasar, Sedat; Ozdemir, Smail; Cetinkaya, Bekir
    In the title salt, C(26)H(29)N(2)(+)center dot Br(-),which may serve as a precursor for N-heterocyclic carbenes, the imidazolidine ring adopts a twist conformation with a pseudo-twofold axis passing through the N-C-N carbon and the opposite C-C bond. The N-C-N bond angle [113.0 (4)degrees] and C-N bond lengths [1.313 (6) and 1.305 (6) angstrom] confirm the existence of strong resonance in this part of the molecule. In the crystal, a C-H center dot center dot center dot Br interaction is present. The dihedral angle between the biphenyl rings is 64.3 (2)degrees and the phenyl rings make angles of 76.6 (3) and 18.5 (3)degrees with the plane of the imidazolidine ring.
  • Küçük Resim Yok
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    Anticancer, antimicrobial and antiparasitical activities of copper(I) complexes based on N-heterocyclic carbene (NHC) ligands bearing aryl substituents
    (Taylor & Francis Ltd, 2020) Touj, Nedra; Al Nasr, Ibrahim S.; Koko, Waleed S.; Khan, Tariq A.; Ozdemir, Ismail; Yasar, Sedat; Mansour, Lamjed
    New benzimidazolium salts were synthesized as N-heterocyclic carbene precursors. These NHC precursors were metallated with Cu2O and CuI in acetone and water under reflux to give novel copper(I) complexes. The structures of these benzimidazolium salts and copper(I) complexes were characterized on the basis of elemental analysis, H-1 NMR, C-13 NMR, IR and LC-MS spectroscopic techniques. The (NHC)Cu(I) complexes 3-4 were tested against MCF7 and MDA-MB-231 cancer cells, Escherichia coli, methicillin-resistant Staphylococcus aureus (MRSA) and Candida albicans microorganisms, Leishmania major promastigotes and amastigotes, Toxoplasma gondii parasites and against Vero cell line in vitro. The synthesized copper NHC carbene complex 4b (1,3-bis(2,3,4,5,6-pentamdthylbenzyl)-2,3-dihydro-1H-benzo[d]imidazol-2-yl)copper(I) chloride) was the most active against MCF7 cancer cells (half growth Inhibition Concentrations (IC50) = 0.3 mu g mL(-1)), as well as the most potent antimicrobial against E. coli (inhibition zone (IZ) = 23.3 mm), MRSA (IZ = 25.5 mm) and C. albicans (IZ = 28.5 mm) besides its antileishmanial activities against L. major promastigotes and amastigotes (IC50 < 0.04 mu g mL(-1)). Compound 4c (1,3-bis(4-(tert-butyl)benzyl)-2,3-dihydro-1H-benzo[d]imida-zol-2-yl)copper(II) bromide) is the most potent anticancer against MDA-MB-231 cancer cells IC50 = 0.4 mu g mL(-1)). Compound 4e (5,6-dimethyl-1,3-bis(2,4,6-trimethylbenzyl)-2,3-dihydro-1H-benzo[d]imidazol-2-yl)copper(I) chloride) is the best suitable antitoxoplasmal drug candidate due to its SI of 16.5. These candidates need further study to identify mode of action and drug standardization.
  • Küçük Resim Yok
    Öğe
    Antidepressant effects of SY-2476: A caffeine derivative's role in A1/A2A gene expression modulation in corticosterone-induced depressed rats
    (Elsevier Ireland Ltd, 2025) Khan, Irfan; Ullah, Saif; Ullah, Shakir; Ali, Niaz; Huma, Zilli; Yasar, Sedat; Khan, Siraj
    Depression is a pervasive mood disorder that continues to challenge researchers and clinicians worldwide. Caffeine and its derivatives have been studied for their neuroprotective and antidepressant effect. Current study aimed to explore the potential antidepressant effect of a caffeine derivative, Sy-2476 [4-(1, 3, 7-trimethyl-2, 6dioxo-2, 3, 6, 7-tetrahydro-1H-purin-8-yl) benzo nitrile], in corticosterone-induced rat model of depression. Depression-like behaviour in rats was induced by administering 20 mg/kg hydrocortisone s.c for 21 days. Behavioural studies evaluated the potential antidepressant effect of caffeine derivative Sy-2476, its effect on cortisol levels, modulation of A1/A2A receptors mRNA expression and antioxidant assays. Treatment of rats with Sy-2476 exhibited robust antidepressant-like effects in corticosterone-exposed rats by increasing sucrose preference (p = 0.0002) while reducing immobility time (p = 0.0118) in the forced swim test. Sy-2476 also reduced lipid peroxidation and increased the level of antioxidant enzymes, including glutathione, catalase, and superoxide dismutase. Moreover, Sy-2476 significantly lowered cortisol levels (p = 0.0019) and up-regulated mRNA expression of A1 (p = 0.0001) and A2A receptors (p = 0.0016) compared to the corticosterone-only treated group. In conclusion, Sy-2476 showed an antidepressant effect primarily by suppressing serum cortisol levels, modulating the expression of adenosine receptors, and exhibiting antioxidant properties.
  • Küçük Resim Yok
    Öğe
    Architectures of zeolitic imidazolate framework derived Cu2Se/ZnSe@NPC and Cu1.95Se@NPC nanoparticles as anode materials for sodium-ion and lithium-ion batteries
    (Elsevier, 2025) Bugday, Nesrin; Huang, Jiangnan; Deng, Wentao; Zou, Guoqiang; Hou, Hongshuai; Ji, Xiaobo; Yasar, Sedat
    Transition metal selenides (TMSes) face challenges such as low electronic conductivity, significant volume expansion, and particle agglomeration during charge and discharge processes, limiting their practical application in batteries. A promising solution involves integrating a carbon matrix into TMS-based anodes, which can enhance conductivity and mitigate volume stress. In this study, we synthesized novel Cu Se/ZnSe@NPC and Cu Se@NPC nanoparticles, embedded in a nitrogen-doped porous carbon (NPC) network using zeolitic imidazolate framework-11 (ZIF-11) as a template, for the first time as anode materials in lithium-ion (LIBs) and sodium-ion batteries (SIBs). The Cu Se/ZnSe@NPC and Cu Se@NPC nanoparticles demonstrate impressive initial capacities of 762 and 712 mAh g-1 at 0.1 A g-1, respectively, and deliver specific capacities of 401 and 358 mAh g-1 at 0.3 A g-1 for lithium-ion half-cell batteries. For sodium-ion half-cell batteries, these materials achievesatisfactory initial capacities of 455 and 349 mAh g-1 at 0.1 A g-1, and exhibit exceptional cycling stability with capacities of 223 and 204 mAh g-1 after 1000 cycles at 2 A g-1, respectively.
  • Küçük Resim Yok
    Öğe
    Benzylic imidazolidinium, 3,4,5,6-tetrahydropyrimidinium and benzimidazolium salts
    (Wiley-V C H Verlag Gmbh, 2008) Yasar, Sedat; Oezdemir, Ismail; Cetinkaya, Bekir; Renaud, Jean-Luc; Bruneau, Christian
    Imidazoliidinium, tetrahydropyrimidinium and benzimidazolium. salts were prepared. Upon reaction with tBuOK, they generate carbene ligands, which were associated in situ to [RuCp*(MeCN)(3)]PF6 to produce ruthenium catalysts that are active for the substitution of allylic substrates by dimethyl of the N-heterocyclic structures, as well as that of the benzyhc N-substituents, on the reactivity and regioselectivity were examined. ((C) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008).
  • Küçük Resim Yok
    Öğe
    Biological Activities of NHC-Pd(II) Complexes Based on Benzimidazolylidene N-heterocyclic Carbene (NHC) Ligands Bearing Aryl Substituents
    (Mdpi, 2020) Al Nasr, Ibrahim; Touj, Nedra; Koko, Waleed; Khan, Tariq; Ozdemir, Ismail; Yasar, Sedat; Hamdi, Naceur
    N-heterocyclic carbene (NHC) precursors (2a-i), their pyridine-enhanced precatalyst preparation stabilization and initiation (PEPPSI)-themed palladium N-heterocyclic carbene complexes (3a-i) and palladium N-heterocyclic triphenylphosphines complexes (4a-i) were synthesized and characterized by elemental analysis and H-1 NMR, C-13 NMR, IR, and LC-MS spectroscopic techniques. The (NHC)Pd(II) complexes 3-4 were tested against MCF7 and MDA-MB-231 cancer cells, Escherichia coli, methicillin-resistant Staphylococcus aureus (MRSA), Candida albicans microorganisms, Leishmania major promastigotes and amastigotes, Toxoplasma gondii parasites, and Vero cells in vitro. The biological assays indicated that all compounds are highly active against cancer cells, with an IC50 < 1.5 mu g mL(-1). Eight compounds proved antibacterial and antileishmanial activities, while only three compounds had strong antifungal activities against C. albicans. In our conclusion, compounds 3 (b, f, g, and h) and 4b are the most suitable drug candidates for anticancer, antimicrobial, and antiparasitical.
  • Küçük Resim Yok
    Öğe
    Boron-doped porous carbon material derived from ZIF-11: Investigation of cotton fabric supercapacitor and Li-ion battery performances
    (Wiley, 2022) Bugday, Nesrin; Altin, Serdar; Bulut, Fatih; Altin, Emine; Yasar, Sedat
    Nitrogen-doped porous carbon (NPC@ZIF-11) and boron-NPC (BNPC@ZIF-11) materials were synthesized by pyrolysis methods, and structural characterization of the compounds was carried out by scanning electron microscopy, transmission electron microscopy, Fourier-transform infrared spectroscopy, X-ray diffraction, Brunauer-Elmet-Teller technique, Raman spectroscopy, and inductively coupled plasma-mass spectrometry techniques. The ZIF-11 was converted to the NPC@ZIF11 by pyrolysis. BNPC@ZIF-11 was fabricated from NPC@ZIF-11 by pyrolysis in the presence of phenylboronic acid. The fabric supercapacitor, sandwich-type supercapacitor, and Li-ion battery performances of NPC@ZIF-11 and BNPC@ZIF-11 were investigated. The capacity of the Li-ion cell was found as 720 mAh g(-1) for the first cycle, and it was decreased to 250 mAh g(-1) after 100 cycles. The capacitance values of the cylindrical devices were 92 F g(-1) and 115.6 F g(-1), for C1 and C4000 in KOH electrolytes. The BNPC@ZIF-11 was used as an electrode material on cotton fabric, and the highest obtained capacitance was 72.8 mF for 0.1 mA, which is a promising result for wearable energy storage materials.
  • Küçük Resim Yok
    Öğe
    C-H Bond activation of 2-isobutylthiazole at C5 position catalysed by Pd-N-heterocyclic carbene complexes
    (Elsevier Science Sa, 2021) Bugday, Nesrin; Khan, Siraj; Yasar, Sedat; Ozdemir, Ismail
    A highly efficient and effective protocol has been developed for the synthesis of C5-(hetero)arylated 2-isobutylthiazole derivatives. Four different palladium N-heterocyclic carbene (Pd-NHCs) complexes [Pd(mu-Cl)Cl(SIMes)](2) (2), (LCl2 Pd-SIMes) (3: L = PPh3; 4: L = Py; 5: L = 3-CHO-Py) were synthesized and used for the first time as a catalysts in direct C-H arylation reaction of 2-isobutylthiazole at C5 position. Utilizations of these catalytic systems, the arylation of 2-isobutylthiazole with substituted (hetero)aryl bromides efficiently proceeded at low catalyst loading (1 mol%) and without any additives such as PivOH under argon or aerobic conditions at 120 degrees C in a short time. Different substituted (hetero)aryl bromides, even some deactivated or highly sterically hindered (hetero)arylbromides, with a wide range of functional groups were successfully utilized under the optimum reaction conditions. In all cases, the C5 arylated 2-isobutylthiazoles were obtained in moderate to excellent yields. (C) 2021 Elsevier B.V. All rights reserved.
  • Küçük Resim Yok
    Öğe
    Comparative assessment of ZIF-based electrochemical sensors for Cabotegravir detection in environmental, biological, and pharmaceutical samples
    (Elsevier, 2025) Genc, Asena Ayse; Bugday, Nesrin; Bouali, Wiem; Erk, Nevin; Naser, Marwah; Duygulu, Ozgur; Yasar, Sedat
    The analysis of biological and environmental samples for drug quantification is a significant task in drug discovery. This study presents a comparative electrochemical evaluation of Zeolitic Imidazolate Frameworks (ZIF11 and ZIF-12) for the sensitive detection of Cabotegravir in environmental, biological, and pharmaceutical samples. Electrochemical sensors were developed using ZIF-11 and ZIF-12-modified glassy carbon electrodes (GCE), demonstrating enhanced electrocatalytic activity toward CAB oxidation. Cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) confirmed that ZIF-12/GCE exhibited a lower peak separation potential and reduced charge transfer resistance compared to ZIF-11/GCE and bare GCE, attributing the superior electron transfer kinetics to the Co metal center in ZIF-12. Differential pulse voltammetry (DPV) allowed for the quantification of CAB over a wide linear range (0.04 - 10.3 mu M) with a low limit of detection (LOD) of 1.15 nM. The sensors were successfully applied for CAB determination in real samples, including human serum, urine, pharmaceutical formulations, and environmental water (lake and tap water), demonstrating excellent accuracy, repeatability, and selectivity against common interferents. These findings establish ZIF-12/GCE as a promising electrochemical platform for CAB detection across diverse sample matrices, with potential applications in environmental monitoring and pharmaceutical analysis.
  • Küçük Resim Yok
    Öğe
    Cu@MOF based composite materials: High performance anode electrodes for lithium-ion and sodium-ion batteries
    (Elsevier, 2024) Bugday, Nesrin; Deng, Wentao; Zou, Guoqiang; Hou, Hongshuai; Ji, Xiaobo; Yasar, Sedat
    In order to satisfy the increasing demand for energy, it is essential to improve the efficiency of lithium-ion batteries (LIBs) and sodium-ion batteries (SIBs) batteries. Metal selenides (MSes) have a high theoretical specific capacity, can be designed in a variety of ways, conduct electricity well, can change morphology easily, and have a multi-electron reaction mechanism. These characteristics make them very competitive as anode materials for LIBs and SIBs. Herein, we synthesise Cu@MOF and Cu@NH2-MOF as the precursor to prepare Cu1.95Se embedded into porous carbon matrix (Cu1.95Se@PC) and porous-N-doped carbon matrix (Cu1.95Se@NPC) via pyrolysis process of Cu@MOF and Cu@NH2-MOF, respectively. Cu1.95Se@PC and Cu1.95Se@NPC electrodes for half-cell LIBs and SIBs exhibit a high reversible capacity of 313.1, 480.9 (for LIBs), 216.3 and 303.8 (for SIBs) mAhg(-1) after 1000 cycles at 2 A g(-1), respectively. We assess the electrochemical performance of the Cu1.95Se@PC and Cu1.95Se@NPC anodes by integrating them with commercially available LiFePO4 (LFP) into full-cell LIBs. The LFP//Cu1.95Se@PC and LFP//Cu1.95Se@NPC full-cells have discharge capacities of approximately 330 and 293 mAh g(-1) at 0.3 A g(-1) at the initial cycle. In order to explore the sodium storage mechanism of the Cu1.95Se composites, we conducted an in situ XRD test during the first charge/discharge cycle, considering their favourable cycling and rate performance. Our work provides a promising anode electrode material for both half-cell LIBs and SIBs with high volume utilization and superior electrochemical performances.
  • Küçük Resim Yok
    Öğe
    Dichloride [1-(2,4,6-trimethylbenzyl)-3-(biphenyl-2-ylmethyl)-imidazolidin-2-ylidine (?6-hexamethylbenzene)]ruthenium
    (Tubitak Scientific & Technological Research Council Turkey, 2006) Arslan, Hakan; Van Derveer, Donald; Ozdemir, Ismail; Yasar, Sedat; Cetinkaya, Bekir
    The single crystal X-ray structure of the imidazolidin ruthenium complex, C38H46N2Cl2Ru, was determined. The complex is an orthorhombic space group Pbca with a = 17.3586(32) angstrom, b = 14.4447(27) angstrom, c = 27.4325(52) angstrom, and V = 6878.466(4) angstrom(3) with Z = 8 for D-calc = 1.357 g/cm(3). It exhibits the expected 3-legged piano stool geometry. There is one coordination bond of the ruthenium atom with the electrons of the eta(6)-hexamethylbenzene, 2 symmetrical Ru-Cl bonds, and one Ru-C bond involving the imidazole ring. The coordination around the ruthenium atom is 4-fold, which in this is case is pseudo-tetrahedral.
  • Küçük Resim Yok
    Öğe
    Dichlorido[1-(2-methylbenzyl)-3-(?6-2,4,6-trimethylbenzyl)-1H-2,3-dihydrobenzimidazol-2-ylidene]ruthenium(II) dichloromethane solvate
    (Wiley-Blackwell, 2009) Arslan, Hakan; VanDerveer, Don; Yasar, Sedat; Ozdemir, Ismail; Cetinkaya, Bekir
    The title complex, [RuCl2(C25H26N2)]center dot CH2Cl2, is best thought of as containing an octahedrally coordinated Ru center with the arene occupying three sites. Two Ru-Cl bonds and one Ru-carbene bond complete the distorted octahedron. The carbene portion of the ligand is a benzimidazole ring. This ring is connected to the C6H2(CH3)(3) arene group by a CH2 bridge. This leads to a system with very little apparent strain. A dichloromethane solvent molecule completes the crystal structure. Further stabilization is accomplished via C-center dot center dot center dot N and C-H center dot center dot center dot Cl interactions.
  • Küçük Resim Yok
    Öğe
    An efficient (NHC) Copper (I)-catalyst for azide-alkyne cycloaddition reactions for the synthesis of 1,2,3-trisubstituted triazoles: Click chemistry
    (Elsevier Science Sa, 2017) Touj, Nedra; Ozdemir, Ismail; Yasar, Sedat; Hamdi, Naceur
    In this study a series of new benzimidazolium salts (2a-c) were synthesized from the reaction of 5,6-dimethyl-1-(alkylbenzyl)-1H-benzo[d] imidazole with various alkyl halides. These salts were used to synthesize cupper N-heterocyclic carbene (Cu-NHC) complexes 3-4. The obtained (NHC) Copper (I) complexes 3-4 were characterized by FT-IR, NMR (H-1 and C-13) spectroscopic methods, mass spectrometry (EI-MS and HRMS) and elemental analysis. These novel cupper complexes 3-4 were used as a catalyst for alkyne - azide cycloaddition (CuAAC) reaction. Several triazoles 7 have been synthesized. This catalytic system fulfils the requirements of click chemistry with its mild and convenient conditions, notably in water at room temperature with low catalyst loading and simple isolation with no purification step. (C) 2017 Elsevier B.V. All rights reserved.
  • Küçük Resim Yok
    Öğe
    An efficient ligand-free method for the transfer hydrogenation of ketones and aldehydes catalyzed by different complexes
    (Tubitak Scientific & Technological Research Council Turkey, 2013) Yasar, Sedat; Cekirdek, Suzan; Akkus Tas, Nilay; Yildirim, Semiha; Ozdemir, Ismail
    A very efficient ligand-free method was developed for the transfer hydrogenation of ketones and aldehydes catalyzed by different metal complexes. With this catalytic system, the catalytic performance and catalytic stability of different Ir, Ru, and Pd complexes were more favorable than those of the previously reported systems for transfer hydrogenation. This ligand-free catalytic system showed good stability and excellent activity even with lower catalyst concentrations for the ketones and aldehydes tested.
  • Küçük Resim Yok
    Öğe
    An Efficient Protocol for Palladium N-Heterocyclic Carbene-Catalysed Suzuki-Miyaura Reaction at room temperature
    (Wiley-V C H Verlag Gmbh, 2017) Akkoc, Mitat; Imik, Fatma; Yasar, Sedat; Dorcet, Vincent; Roisnel, Thiery; Bruneau, Christian; Ozdemir, Ismail
    The palladium-N-heterocyclic carbene complexes have been synthesised from 1,3-bis-(N-alkyl) benzimidazolium salts and catalytic activity of complexes have been tested on Suzuki-Miyaura coupling reaction for aryl bromides with substituted arylboronic acids at room temperature in i-PrOH/water. Structural characterisation of palladium complex 2b was determined by x-ray crystallography. A convenient and effective protocol has been evolved that has several superior advantages, including very low catalyst loading, vide range of substrate tolerance, excellent yields, room temperature, totally green solvents, short reaction times, up to 59750 h(-1) TOF (Turn Over Frequency) value with aryl bromide substrates and very simple procedure.
  • Küçük Resim Yok
    Öğe
    Electrical and photoelectrical characterization of organic-inorganic heterostructures based on Ru-N-heterocyclic carbene complexes
    (Elsevier Gmbh, 2018) Yasar, Sedat; Cekirdek, Suzan; Binbay, Nil Ertekin; Tombak, Ahmet; Ocak, Yusuf Selim; Arslan, Nevin; Baysal, Akin
    1,3-Bis(2-morpholinethyl)benzimidazoliumtrichlorido(eta(6)-p-cymene)-ruthenate(11), 2, was synthesized and characterized by NMR spectroscopy and micro analysis. The organic -inorganic heterojunctions were fabricated by using n-type Si wafer and a series of Ru-N-heterocyclic carbene complexes, 3-5, bearing sterically hindered aryl groups were documented for the first time. The thin films of the complexes are deposited on n-Si substrates using spin coating. Current-voltage (I-V) measurements of the devices in dark and illuminated environments were analyzed to determine electrical parameters of devices. Furthermore, the photoelectrical properties of the structures were investigated examined using I-V measurements under a solar simulator. Complexes 3 and 5 showed very low series resistance resulting in high rectification ratios which are promising results for the future electronic and photoelectronic applications. (C) 2017 Published by Elsevier GmbH.
  • Küçük Resim Yok
    Öğe
    Engineering hemp-derived carbon-cobalt chalcogenide hybrids toward durable and high-capacity sodium-ion batteries
    (Royal Soc Chemistry, 2026) Bugday, Nesrin; Sahan, Ozgenur Dincer; Duygulu, Ozgur; Karadag, Ahmet; Yasar, Sedat
    Biomass carbons (BCs) have emerged as a favored anode material for different types of batteries owing to their cost-effectiveness and environmental sustainability. However, their performance at elevated current densities is suboptimal, necessitating the development of BCs combined with other components that possess high theoretical capacities. Herein, we embedded Co9S8 and CoSe2/Co3Se4 nanoparticles onto porous carbon derived from stem fiber of the hemp (Cannabis sativa L.) plant template using an in situ growth method. This strategy reduces the dissolution of Co9S8 and CoSe2/Co3Se4 in the electrolyte, thereby preventing capacity loss, and heteroatom-containing carbon functionalities enhance interfacial interaction with cobalt chalcogenides and contribute to improved electrochemical stability. The synthesized Co9S8@C-CAN electrode, used as a sodium-ion battery (SIB) anode, demonstrates high reversible capacity and stable cycling behavior. Co9S8@C-CAN retains a capacity of 608 mA h g-1 after 250 cycles, even at a high current density of 2.0 A g-1, with a high cycle stability. This study presents a method for synthesizing hybrid materials by integrating BC with metal sulfides or metal selenides, introducing a novel strategy for the fabrication of SIB anodes.
  • Küçük Resim Yok
    Öğe
    Evaluation of NMR Results of Newly Synthesized Platinum-Based N- Heterocyclic Carbene Complexes
    (Wiley, 2023) Aslan, Sumeyye; Yuce, Hande; Yasar, Sedat; Bugday, Nesrin; Turkmen, Nese Basak; Eke, Benay Can; Unuvar, Songul
    [Abstract Not Available]
  • Küçük Resim Yok
    Öğe
    Experimental and quantum mechanical investigation on two N-heterocyclic carbene palladium complexes
    (Taylor & Francis Ltd, 2021) Ozdemir, Namik; Touj, Nedra; Yasar, Sedat; Hamdi, Naceur; Ozdemir, Ismail
    Two palladium complexes bearing different ligands such as N-heterocyclic carbene (NHC), pyridine and phosphines were synthesized and characterized by FT-IR spectroscopy, X-ray crystallography and quantum-chemical computations. DFT calculations have been performed at HSEh1PBE/SDD level of theory. Intermolecular interactions have been studied through two-dimensional fingerprint plots based on Hirshfeld surface analysis. Structural parameters and spectroscopic properties of the complexes are well interpreted by DFT and TD-DFT calculations.
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