Theoretical investigation on phosphorescent platinum complexes based on two tetradentate bipyridine ligands
Hadj MEZOUAR,
Houari BRAHIM,
Mostefa BOUMEDIENE
et al.
Abstract:In this work, the geometrical, optical, and phosphorescence properties of four complexes with general formula [dRpypy―C(OCH3)R′―dRpypy]Pt, with Pt-1 (R = F, R′=methyl), Pt-2 (R = F, R′=hexyl), Pt-3 (R = methoxy, R′=methyl) and Pt-4 (R = methoxy, R′=hexyl) were studied using the B3PW91 and TD-B3PW91 methods. The effect of the double substitution R and R′ on the electronic properties of the four complexes has been investigated. Replacing the two fluorine atoms with the two methoxy groups modifies the shape of th… Show more
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