New Advances in Chemical Research in 2021.The dynamic chemical diversity of the numerous elements, ions and molecules that constitute the basis of life provides wide challenges and opportunities for research. 540-36-3, Name is 1,4-Difluorobenzene, molecular formula is , belongs to benzoxazole compound. In a document, author is Wang, Dan-Dan, Formula: https://www.ambeed.com/products/540-36-3.html.
Four new heteroleptic [Cu(NN)P-2](+)-type cuprous complexes-1-TPP, 2-POP, 3-Xantphos, and 4-DPPF-were designed and synthesized using a diimine ligand 2-(2 ‘-pyridyl)benzoxazole (2-PBO) and different phosphine ligands (TPP, triphenylphosphine; POP, bis[2-(diphenylphosphino)phenyl]ether; Xantphos, 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; DPPF, 1,1 ‘-bis(diphenylphosphino)-ferrocene). All complexes were characterized using single-crystal X-ray diffraction, spectroscopic analysis (infrared, UV-Vis.), elemental analysis, and photoluminescence (PL). Single-crystal X-ray diffraction revealed complexes 1-4 as isolated cation complex structures with a tetrahedral CuN2P2 coordination geometry and diverse P-Cu-P angles. Their UV-Vis. absorption spectra exhibited a blue-shift sequence in wavelength with an enlarged P-Cu-P angle from 4 to 2 then to 3 and then to 1. The PL emission peaks of 1-3 also exhibited a similar blue-shift sequence (2 -> 3 -> 1). Their PL lifetime in microseconds (7.5, 5.1, and 4.7 mu s for 1, 2, and 3, respectively) indicated that their PL behavior represents phosphorescence. Time-dependent density functional theory (TD-DFT) calculation and wavefunction analysis revealed that S-1 and T-1 states of 1-3 should be assigned as metal-ligand and ligand-ligand charge-transfer (ML + L’L)CT states. Their UV-Vis. absorption and phosphorescence should be attributed to the charge transfer from the P-Cu-P segment to the 2-PBO ligand. Therefore, as the P-Cu-P angle increased (lower HOMO), the energy of S-1 and T-1 states also increased, following the change of PL color.
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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem