Phosphorescent Emissions of Coinage Metal-Phosphine Complexes: Theory and Photophysics

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The major topics discussed are all relevant to the bright phosphorescent emissions of coinage metal complexes (Cu(I), Ag(I) and Au(I)) with an explanation of the theoretical background, computational results and ongoing work on the application in materials and optoelectronic devices. Density functional computations have been performed on the majority of the discussed complexes and determined that the most significant distortion that occurs in Au(I)-phosphine complexes is a near and beyond a T-shape within the P-Au-P angle when the complexes are photoexcited to the lowest phosphorescent excited state. The large distortion is experimentally qualified with the large Stokes' shift that occurs ... continued below

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Sinha, Pankaj December 2009.

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  • Sinha, Pankaj

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The major topics discussed are all relevant to the bright phosphorescent emissions of coinage metal complexes (Cu(I), Ag(I) and Au(I)) with an explanation of the theoretical background, computational results and ongoing work on the application in materials and optoelectronic devices. Density functional computations have been performed on the majority of the discussed complexes and determined that the most significant distortion that occurs in Au(I)-phosphine complexes is a near and beyond a T-shape within the P-Au-P angle when the complexes are photoexcited to the lowest phosphorescent excited state. The large distortion is experimentally qualified with the large Stokes' shift that occurs between the excitation and emission spectra and can be as large as 18 000 cm-1 for the neutral Au(I) complexes. The excited state distortion has been thoroughly investigated and it is determined that not only is it pertinent to the efficient luminescence but also for the tunability in the emission. The factors that affect tunability have been determined to be electronics, sterics, rigidity of solution and temperature. The luminescent shifts determined from varying these parameters have been described systematically and have revealed emission colors that span the entire visible spectrum. These astounding features that have been discovered within studies of coinage metal phosphorescent complexes are an asset to applications ranging from materials development to electronics.

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  • December 2009

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  • March 17, 2010, 11:40 a.m.

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  • May 10, 2010, 3:55 p.m.

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Sinha, Pankaj. Phosphorescent Emissions of Coinage Metal-Phosphine Complexes: Theory and Photophysics, dissertation, December 2009; Denton, Texas. (digital.library.unt.edu/ark:/67531/metadc12200/: accessed August 21, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; .