Synthesis, Characterization, Structural and Theoretical Studies of Some New Homoleptic and Heteroleptic Diiminic and Diphosphine Copper(I) Complexes, M.Sc. Thesis Sharif University of Technology ; Kia, Reza (Supervisor)
Abstract
In this study first some new diimine ligands were synthesized, then mononuclear and binuclear Cu(I) complexes with starting matrials, [Cu(NCCH3)4]X (X= PF6, ClO4) or CuI, and the synthesized diimine ligands and phosphinic (POP) ligand were prepared. These complexes were characterized using 1HNMR, 31P{1H}NMR, and FT-IR spectroscopic methods and their solid state structure were determined by single crystal X-ray diffraction. Inspection of the solid-state structurs, showed variety of the stabilizing interactions shuch as NO2•••NO2, π•••π, C─H•••π, and NO2•••π. Density functional theory (DFT) was used for geometry optimization of the singlet states in gas phase and the electronic structure...
Cataloging briefSynthesis, Characterization, Structural and Theoretical Studies of Some New Homoleptic and Heteroleptic Diiminic and Diphosphine Copper(I) Complexes, M.Sc. Thesis Sharif University of Technology ; Kia, Reza (Supervisor)
Abstract
In this study first some new diimine ligands were synthesized, then mononuclear and binuclear Cu(I) complexes with starting matrials, [Cu(NCCH3)4]X (X= PF6, ClO4) or CuI, and the synthesized diimine ligands and phosphinic (POP) ligand were prepared. These complexes were characterized using 1HNMR, 31P{1H}NMR, and FT-IR spectroscopic methods and their solid state structure were determined by single crystal X-ray diffraction. Inspection of the solid-state structurs, showed variety of the stabilizing interactions shuch as NO2•••NO2, π•••π, C─H•••π, and NO2•••π. Density functional theory (DFT) was used for geometry optimization of the singlet states in gas phase and the electronic structure...
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