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Öğe A theoretical insight for solvent effect on myoglobin assay of W(CO)4L2 type novel complexes with DFT/TDDFT(Elsevier Science Bv, 2016) Ustun, Elvan; Demir, Serpil; Coskun, Feyzullah; Kaloglu, Murat; Sahin, Onur; Buyukgungor, Orhan; Ozdemir, IsmailNovel tetracarbonyl complexes of type W(CO)(4)L-2 (L: 4-chlorobenzylimidazoline; 4-methylbenzylimidazoline; 3,5-dimethylbenzylimidazoline; 2,4,6-trimethylbenzylimidazoline; 2,3,5,6-tetramethylbenzylimidazoline) were synthesized. Then newly synthesized novel compounds were characterized by IR, H-1 NMR, C-13 NMR and LC-MS. The characterizations of two of the complexes have also been confirmed with single crystal X-Ray diffraction and OFT optimization results of these complexes have been compared with single crystal results. We have investigated the solvent effect on the structure and metal-to-ligand charge transfer (MLCT) transitions with OFT/TDDFT calculations with ORCA package program with BP86 functional. (C) 2016 Elsevier B.V. All rights reserved.Öğe N-Alkylation and N,C-Dialkylation of Amines with Alcohols in the Presence of Ruthenium Catalysts with Chelating N-Heterocyclic Carbene Ligands(Amer Chemical Soc, 2015) Sahin, Zeynel; Gurbuz, Nevin; Ozdemir, Ismail; Sahin, Onur; Buyukgungor, Orhan; Achard, Mathieu; Bruneau, ChristianA series of new benzimidazolium salts and ruthenium(II) complexes containing chelating N-heterocyclic carbenes (NHCs) functionalized with a benzylic group and an acetal group were prepared. All of the synthesized compounds were characterized by elemental analysis and NMR spectroscopy, and the molecular structures of 2c and 2d were determined by X-ray crystallography. All of the,complexes were tested in the alkylation of cyclic amine derivatives with alcohols and showed excellent activity in this reaction. Cyclic amines were alkylated with primary and heteroaromatic alcohols. The Ru-NHC Complexes also catalyzed N,C3-dialkylation of cyclic amines.Öğe Novel ruthenium(II)-N-heterocyclic carbene complexes; synthesis, characterization and catalytic application(Elsevier Science Sa, 2015) Yasar, Sedat; Karaca, Emine Ozge; Sahin, Caglar; Ozdemir, Ismail; Sahin, Onur; Buyukgungor, OrhanThe synthesis of highly active ruthenium(II) catalyst based on N-heterocyclic carbene (NHC) bearing alkyl and aryl groups is reported. The complexes are easily handled in very good yields via synthesis of silver -NHC complexes and subsequent reaction with [RuCl2(p-cymene)](2) in dichloromethane (DCM) under N-2 condition. All new compounds were characterized by LC-MSMS, elemental analysis, NMR spectroscopy and X-ray diffraction. With the development of a more efficient catalytic system for transfer hydrogenation of aryl ketones and aldehydes in mind, the catalytic performance of the Ru-NHC complexes for transfer hydrogenation was investigated. (c) 2015 Elsevier B.V. All rights reserved.Öğe Palladium Complexes with Tetrahydropyrimidin-2-ylidene Ligands: Catalytic Activity for the Direct Arylation of Furan, Thiophene, and Thiazole Derivatives(Amer Chemical Soc, 2015) Karaca, Emine Ozge; Gurbuz, Nevin; Ozdemir, Ismail; Doucet, Henri; Sahin, Onur; Buyukgungor, Orhan; Cetinkaya, BekirThe synthesis and characterization of novel 1,3-benzyl-3,4,5,6-tetrahydropyrimidin-2-ylidene-based N-hetero-cyclic carbene palladium(II) complexes (1a-d) were described. The crystal structure of trans-dichlorobis[1,3-bis(4-methylbenzyl)-3,4,5,6-tetrahydropyrimidin-2-ylidend- palladium(II) was presented. Pd(II) complexes 1a-d were tested as catalysts in the direct C5 or C2 arylation of furans, thiophenes, and thiazoles, with various aryl bromides at 150 degrees C for 1 h. These complexes exhibited moderate to high catalytic activities under the given conditions.Öğe Synthesis of palladium complexes derived from imidazolidin-2-ylidene ligands and used for catalytic amination reactions(Wiley, 2016) Karaca, Emine Ozge; Gurbuz, Nevin; Sahin, Onur; Buyukgungor, Orhan; Ozdemir, IsmailN-Aryl amination and the Buchwald-Hartwig reaction are of great synthetic and industrial interest and scientists accept their usefulness and versatility for obtaining arylamines. In this study Ag-N-heterocyclic carbene complexes were used as trans-metallation reagents for the synthesis of Pd-N-heterocyclic carbene complexes. The new Pd-N-heterocyclic carbene complexes were characterized using elemental analysis and H-1 NMR, C-13 NMR and infrared spectroscopies. The crystal structure of one, namely dichlorobis[1,3-bis(2-methylbenzyl)imidazolidin-2-yliden]palladium(II), is presented. The activity of the Pd(II) complexes in the coupling reaction of anilines or amines with bromobenzene was investigated. These complexes exhibited high catalytic activities in the direct synthesis of triarylamines and secondary amines in a single step. Copyright (C) 2016 John Wiley & Sons, Ltd.