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    Quantum Chemical, Spectroscopic, and X-Ray Diffraction Studies of N-diphenylphosphino-4-methylpiperidine Selenide (1)
    (TAYLOR & FRANCIS LTD, 2014) Saracoglu, H.; Sarioz, O.; Oznergiz, S.
    The title molecule, N-diphenylphosphino-4-methylpiperidine selenide(1), was prepared and characterized by elemental analysis, H-1-NMR, P-31-{H-1} NMR, IR, and X-ray single-crystal determination. The compound crystallizes in the monoclinic space group P 2(1)/c. In addition to the molecular geometry from X-ray determination, vibrational frequencies and gauge, including atomic orbital (GIAO) H-1- and P-31-{H-1} NMR chemical shift values of the title compound (1) in the ground state, were calculated using the Hartree-Fock and density functional methods with the 6-31G(d, p) basis set. The calculated results show that the optimized geometries can well reproduce the crystal structures. Besides, the theoretical vibrational frequencies and chemical shift values show good agreement with experimental values. The predicted nonlinear optical (NLO) properties of the title compound are greater than those of urea. In addition, density functional theory (DFT) calculations of the molecular electrostatic potentials (MEPs), frontier molecular orbitals (FMOs) of the title compound were carried out at the B3LYP/6-31G(d) level of theory.
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    The Synthesis and Investigation of Liquid-Liquid Extraction Capability of N-Diphenylphosphino-N-ethylaniline and Its Chalcogenide Derivatives
    (Pleiades Publishing Inc, 2019) Akkuslu, Y.; Sarioz, O.
    The aminophosphine ligand was synthesized by the reaction of N-ethylaniline with chlorodiphenylphosphine in the presence of triethylamine at low temperature. Oxidation of the ligand with elemental sulfur or selenium afforded the corresponding aminophosphine sulfide and selenide. The compounds were characterized by elemental analyses, IR, H-1 and P-31 NMR. N-diphenylphosphino-N-ethylaniline and its chalcogen derivatives were used as ligands in solvent extraction of metal picrates such as Cd2+ and Ni2+ from the aqueous to the organic phase. Influences of parameters such as pH of the aqueous phase, solvent, extraction time, and extradant concentration were investigated to determine the extraction ability of ligands for metal ions. Results of the experiments showed that an extractability of 95.5 and 97.8%, respectively for Ni2+, and Cd2+ at pH 2 could be achieved.