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      Utilization of a Pt(ii) di-yne chromophore incorporating a 2,2′-bipyridine-5,5′-diyl spacer as a chelate to synthesize a green and red emitting d–f–d heterotrinuclear complex

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          Abstract

          The heteronuclear trimetallic d–f–d complex [Eu(btfa) 3{(Ph)(Et 3P) 2Pt–CC–R–CC–Pt(Et 3P) 2(Ph)}] has been synthesized and characterized spectroscopically. The complex displays both red and green emissions in solution.

          Abstract

          A new heterotrinuclear (d–f–d) complex [Eu(btfa)31c] (btfa = 4,4,4-trifluoro-1-phenyl-1,3-butanedione and 1c = [(Ph)(Et 3P) 2Pt–CC–R–CC–Pt(Et 3P) 2(Ph)] (R = 2,2′-bipyridine-5,5′-diyl) has been synthesized by utilizing the N,N-donor sites of the organometallic chromophore. The complex was characterized by analytical and spectroscopic methods. Photophysical properties of the complex were analysed in detail using both steady-state and time-resolved emission and excitation spectroscopy. The optical absorption spectrum of the complex is dominated by the spin allowed π–π* transitions of the btfa and 1c units in the UV–visible region (200–418 nm) and thus is excitable over a wide range of wavelengths across the UV into the visible region of the electromagnetic spectrum. The complex displays typical red Eu( iii) emission when excited at 345 nm. However, it also shows green emission when excited at 464 nm and, thus could be an interesting candidate for full colour display applications. The change in the colour could be a result of the high value of the energy back-transfer rate (6.73 × 10 5 s −1) from the triplet state of the organometallic chromophore to the 5D 1 state of Eu( iii). Judd–Ofelt (J–O) intensity parameters ( Ω 2 and Ω 4), radiative ( A R), non-radiative ( A R) decay rates and intrinsic quantum yield ( QEuEu) have been calculated.

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          Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy.

          Gaussian basis sets of quadruple zeta valence quality for Rb-Rn are presented, as well as bases of split valence and triple zeta valence quality for H-Rn. The latter were obtained by (partly) modifying bases developed previously. A large set of more than 300 molecules representing (nearly) all elements-except lanthanides-in their common oxidation states was used to assess the quality of the bases all across the periodic table. Quantities investigated were atomization energies, dipole moments and structure parameters for Hartree-Fock, density functional theory and correlated methods, for which we had chosen Møller-Plesset perturbation theory as an example. Finally recommendations are given which type of basis set is used best for a certain level of theory and a desired quality of results.
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            Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg

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              A convenient synthesis of acetylenes: catalytic substitutions of acetylenic hydrogen with bromoalkenes, iodoarenes and bromopyridines

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                Author and article information

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                Journal
                ICHBD9
                Dalton Transactions
                Dalton Trans.
                Royal Society of Chemistry (RSC)
                1477-9226
                1477-9234
                February 2 2021
                2021
                : 50
                : 4
                : 1465-1477
                Affiliations
                [1 ]Department of Chemistry
                [2 ]Sultan Qaboos University
                [3 ]Al Khoud 123
                [4 ]Oman
                [5 ]Pople Computational Chemistry Laboratory
                [6 ]UFS
                [7 ]49100-000 São Cristóvão
                [8 ]Brazil
                [9 ]University of Bath
                [10 ]Bath BA2 7AY
                [11 ]UK
                Article
                10.1039/D0DT04198J
                33439190
                fe201690-cf0d-4ac5-a40e-5a5c7a4bf956
                © 2021

                http://creativecommons.org/licenses/by/3.0/

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