Modeling chemical reactions helps engineers virtually understand the chemistry, optimal size and design of the system, and how it interacts with other physics that may come into play. Synthetic Route of 319-03-9, Name is 5-Fluoroisobenzofuran-1,3-dione, molecular formula is C8H3FO3, molecular weight is 166.106, category is benzoxazole. Now introduce a scientific discovery about this category.
Three mononuclear Cu(I) complexes, namely, [Cu(2-PBO)(PPh3)(2)]center dot ClO4 center dot 2CH(2)Cl(2) (1), [Cu(3-PBO)(PPh3)(2)(ClO4)center dot CH2Cl2 (2) and [Cu(PBM)(PPh3)(2)]center dot ClO4 (3) (2-PBO = 2-(2′-Pyridyl)benzoxazole, 3-PBO = 2-(3′-Pyridyl)benzoxazole, PPh3 = 2-(2′-Pyridyl)benzimidazole, PPh3 = triphenylphosphine) have been synthesized and characterized by elemental analyses, IR, H-1 NMR, C-13 NMR, X-ray single crystal diffraction and thermal analysis. Photoluminescent investigation shows that complexes 1-3 exhibit distinct tunable light green (512 nm)-toyellow (557 nm) photoluminescence by varying the N-heterocyclic ligands. Three complexes show intense 2-PBO-based yellow, 3-PBO-based light green and intense PBM-based bright green luminescence upon irradiation with a standard UV lamp (lambda(ex) = 254 nm) at room temperature. Moreover, the electrochemical properties of 1-3 have been investigated by cyclic voltammetry. The results suggest the frontier molecular orbits and the HOMOLUMO energy gaps of these cuprous complexes are effectively adjusted through the introduction of different N heterocyclic ligands, thus achieving the selective luminescence of the cuprous complexes. (C) 2018 Elsevier B.V. All rights reserved.
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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem