The adsorption sites of O2 on neutral PdN clusters (N = 1–4) were studied using spin density functional theory. Only for Pd1O2 molecular adsorption is found to be favorable. For Pd2–4O2 dissociative adsorption with the oxygen sitting on Pd bridge sites is preferred. Most Pd clusters remain in the same high spin states found for pure gas phase Pd clusters. Only the ground state of Pd4O2 increase...

Heck arylation of 2,3-dihydrofuran with iodobenzene was carried out in systems consisting of different palladium precursors (Pd2(dba)3, Pd(acac)2, PdCl2(cod), [PdCl(allyl)]2, PdCl2(PhCN)2, PdCl2(PPh3)2) and ionic liquids (CILs) with L-prolinate or L-lactate anions. All the tested CILs caused remarkable increases of the conversion values and in all of the reactions 2-phenyl-2,3-dihydrofuran (3) ...

[Pd(dppf)(MeCN)2](OTf)2 [dppf = 1,1 0-bis(diphenylphosphino)ferrocene, OTf = triflate] reacts with pyridyl acetic acid (PyAcOH) to yield a dipalladium ring structure, [Pd2(dppf)2(l-PyOAc)2](OTf)2 (1). The doubly-bridging ligands exhibit basicity at the pendant carboxyl oxygen to attract AgX (X = OTf or CF3CO2) to form [Pd2Ag2(dppf)2(PyOAc)2(OTf)4] (2) and [Pd2Ag2(dppf)2 (PyOAc)2(OTf)2(CF3CO2)2]...

The reaction mechanism of Pd2+-catalyzed regioselective C–H alkylation indole with MesICH2CF3OTf has been investigated by the density functional theory calculations. mainly contains four steps: activation, oxidative addition, reductive elimination, and ligands substitution. From our calculations, we find that activation step was realized acetate anion (−OAc) assisted concerted metalation deprot...

background and aims: from the past studies, it has been proved that consumption of heavy metals by humans may cause several chronicle problems like cancer, kidney and liver damage, high blood pressure and low blood pressure problems and etc. so, it has become very crucial to remove these heavy metals from industrial wastewater. the aim of this study was to find out a low cost and easy available...

Bu çalışmada, Pd2+ iyonlarının iyodür (I-) ile PdI42- kompleksi oluşturarak, heksadesiltrimetilamonyum bromür (CTAB) yardımıyla kloroform fazına taşındığı ve spektrofotometre tayin edildiği bir mikroekstraksiyon yöntemi geliştirilmiştir. Ekstraksiyon verimliliğini etkileyen, pH, konsantrasyonu, potasyum hacmi yabancı iyon etkisi gibi deneysel parametreler optimize edilmiştir. Optimize edilen şa...

Abstract A field experiment was conducted to investigate the influence of agricultural machines (AM) LDSM and Nordsten planting depths (PD) on wheat/ Abu-Ghraib 3 cultivar. The included two types AM (LDSM Nordsten) three PD levels (PD1 6, PD2 8 PD3 11 cm) application. split -split plot arrangement in RCBD with replications used, results indicated that (Nordsten type) major impact than all studi...