Synthesis, Characterization, Crystal Structure Determination and Theoretical Calculations of Some new Adducts of Cu (I) with Nitrogen-Donor and Phosphine Ligands

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Yousefalizadegan, Fazile | 2019

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Type of Document: M.Sc. Thesis
Language: Farsi
Document No: 52301 (03)
University: Sharif University of Technology
Department: Chemistry
Advisor(s): Kia, Reza
Abstract:
In the first part, two copper(I) complexes were synthesized as additive products of nitrogen-donor, phosphine and stibine ligands and copper(I) iodide, and in the second part, the triple-core copper(I) complex was synthesized with a phosphine ligand. The synthesized complexes were identified by FT-IR, 1H-NMR, 31P-NMR spectroscopy and the structure of these complexes was investigated using single crystal X-ray diffraction. In addition, the possibility of Cuprophilic interactions using structural parameters, And theoretical studies were reviewed. On the other hand, molecular structure determination allowed us to fully investigate the intramolecular and intermolecular interactions of the synthesized copper(I) complexes. Intramolecular and intermolecular interactions in the complexes were studied using the non-covalent interactions index (NCI). In the bifunctional complex of Cu(I) synthesized by Formula [CuI(SbPh3)(4-CN(py))]2 the distance of two copper atoms is less than the sum of the van der Waals radii of the two copper atoms and as a result this complex has a Cuprophilic interaction. The existence of this interaction is also confirmed by non-covalent interactions index
Keywords:
Copper (I) Complexes ; X Ray Diffraction ; Nitrogen Donor Ligand ; Phosphine Ligand ; Stibine Ligand

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