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• W2107310725 endingPage "18037" @default.
• W2107310725 startingPage "18019" @default.
• W2107310725 abstract "We report the synthesis, characterization, crystal structures, nonlinear-optical (NLO) properties, and density functional theory (DFT) calculations of nickel(ii) and copper(ii) complex based ONO tridentate Schiff base ligands: two mononuclear compounds, [Ni(An-ONO)(NC5H5)] (5) and [Cu(An-ONO)(4-NC5H4C(CH3)3)] (6), and two heterobimetallic species, [M(Fc-ONO)(NC5H5)] (M = Ni, 7; Cu, 8), where An-ONOH2 (3) and Fc-ONOH2 (4) are the 1 : 1 condensation products of 2-aminophenol and p-anisoylacetone and ferrocenoylacetone, respectively. These compounds were characterised by microanalysis, FT-IR and X-ray crystallography in the solid state and in solution by UV-vis and (1)H and (13)C NMR spectroscopy. The crystal structures of 3-5, 7 and 8 have been determined and show for Schiff base complexes 5, 7 and 8 a four-coordinated square-planar environment for nickel and copper ions. The electrochemical behavior of all derivatives 3-8 was investigated by cyclic voltammetry in dichloromethane, and discussed on the basis of DFT-computed electronic structures of the neutral and oxidized forms of the compounds. The second-order NLO responses of 3-8 have been determined by harmonic light scattering measurements using a 10(-2) M solution of dichloromethane and working with a 1.91 μm incident wavelength, giving rather high β1.91 values of 350 and 290 × 10(-30) esu for the mononuclear species 5 and 6, respectively. The assignment and the nature of the electronic transitions observed in the UV-vis spectra were analyzed using time-dependent (TD) DFT calculations. They are dominated by LMCT, MLCT and π-π* transitions." @default.
• W2107310725 created "2016-06-24" @default.
• W2107310725 creator A5009920009 @default.
• W2107310725 creator A5012191483 @default.
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• W2107310725 creator A5027882341 @default.
• W2107310725 creator A5033201086 @default.
• W2107310725 creator A5049143428 @default.
• W2107310725 creator A5058357883 @default.
• W2107310725 creator A5058581766 @default.
• W2107310725 creator A5087848637 @default.
• W2107310725 date "2015-01-01" @default.
• W2107310725 modified "2023-10-18" @default.
• W2107310725 title "Four-coordinate nickel(<scp>ii</scp>) and copper(<scp>ii</scp>) complex based ONO tridentate Schiff base ligands: synthesis, molecular structure, electrochemical, linear and nonlinear properties, and computational study" @default.
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