New discoveries in chemical research and development in 2021. The transformation of simple hydrocarbons into more complex and valuable products has revolutionised modern synthetic chemistry. In an article, author is Tao, Xiao-Dong, once mentioned the application of 423-39-2, Application In Synthesis of Perfluorobutyliodide, Name is Perfluorobutyliodide, molecular formula is C4F9I, molecular weight is 345.9329, category is benzoxazole. Now introduce a scientific discovery about this category.
Two luminescent pseudo-polymorphs based on a new cuprous complex, [Cu(2-iQBO)(POP)]PF6 (2-iQBO = 2-(1′-isoquinolyl)benzoxazole, POP = bis[2-(diphenylphosphino)phenyl]ether), have been synthesized and characterized by UV-Vis, elemental analysis and single-crystal X-ray diffraction analyses. The pseudo-polymorphs 1 and 2 are characterized as a dichloromethane solvate and an acetonitrile solvate, respectively. Single-crystal X-ray diffraction data reveal that 1 and 2 are both mononuclear cuprous complexes with a tetrahedral CuN2P2 coordination configuration, consisting of two P atoms from the POP ligand and two N atoms from the 2-iQBO ligand. The pseudo-polymorphic complexes 1 and 2 can be distinguished by their crystal color, UV-Vis spectra and PL spectra. Time-dependent density functional theory (TD-DFT) calculations reveal that the P-Cu-P angle is a key structural factor influencing the absorption and emission properties. Based on the TD-DFT calculations, the lowest singlet excited state corresponding to the UV-Vis absorption edge can be definitely assigned as a metal-to-ligand charge transfer (MLCT) mixed with a ligand-to-ligand charge transfer (L’LCT), and the lowest triplet excited states should be both assigned as a mixed (3)(ML + L’L)CT character. (C) 2018 Elsevier Ltd. All rights reserved.
Sometimes chemists are able to propose two or more mechanisms that are consistent with the available data. If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about 423-39-2, in my other articles. Application In Synthesis of Perfluorobutyliodide.
Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem