Name: Copper(I) tetra(acetonitrile) tetrafluoroborate. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: Copper(I) tetra(acetonitrile) tetrafluoroborate, is researched, Molecular C8H12BCuF4N4, CAS is 15418-29-8, about Structural characterization, DFT studies and luminescent properties of dinuclear copper(I)-diimine complexes with the S-shape configurations. Author is Zheng, Dan; Huang, Ting-Hong; Luo, Cheng; Tang, Jing.
Three dinuclear Cu(I) complexes, [Cu2(pnd)(PPh3)4](BF4)2 (1), [Cu2(pnd)(dppp)2] (BF4)2 (2), and [Cu2(pnd)(DPEphos)2](BF4)2 (3) (PPh3 = triphenylphosphine, dppp = 1,3-bis (diphenylphosphino)propane, DPEphos = bis(2-diphenylphosphinophenyl)ether, pnd = N, N’-bis (pyridin-2-ylmethylene)naphthyl-1,5-diimine), were prepared and characterized by IR, 1H NMR, 31P NMR, 13C NMR, XRD, elemental anal. and x-ray crystal structure anal. The structural anal. reveals that the flexible pnd in 1-3 acts in a trans bridging coordination mode to connect two Cu+ ions, forming a S-shape conformation, while each of Cu(I) ion is four-coordinate N2P2, adopting a distorted-tetrahedral geometry. DFT calculations show that the HOMOs of complexes 1-3 are primarily located on the copper d-orbital and the phosphine ligand, together with a specific contribution of pnd, while LUMOs are mostly composed of pnd with admixed Cu(I) d-orbital character. Corresponding calculations of at. charges indicate that the charge of the copper atom in complexes 1-3 is below +1, while the total charges of the coordinated atoms are 0.743-0.786. Moreover, the solid-state emission spectra of complexes 1-3 show the existence of broad emission bands at 350-550 nm.
There is still a lot of research devoted to this compound(SMILES：[Cu+](N#CC)(N#CC)(N#CC)N#CC.[B+3]([F-])([F-])([F-])[F-])Name: Copper(I) tetra(acetonitrile) tetrafluoroborate, and with the development of science, more effects of this compound(15418-29-8) can be discovered.
Reference:
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