Category: isoquinoline. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 2-(5-Bromothiophen-2-yl)pyridine, is researched, Molecular C9H6BrNS, CAS is 123784-07-6, about Phosphorescence vs. Fluorescence in Cyclometalated Platinum(II) and Iridium(III) Complexes of (Oligo)thienylpyridines. Author is Kozhevnikov, Dmitry N.; Kozhevnikov, Valery N.; Shafikov, Marsel Z.; Prokhorov, Anton M.; Bruce, Duncan W.; Gareth Williams, J. A..
Two newly prepared (oligothienyl)pyridines, 5-(2-pyridyl)-5′-dodecyl-2,2′-bithiophene, HL2, and 5-(2-pyridyl)-5”-dodecyl-2,2′:5′,2”-terthiophene, HL3, bind to Pt(II) and Ir(III) as N-C-coordinating ligands, cyclometalating at position C4 in the thiophene ring adjacent to the pyridine, leaving a chain of either one or two pendent thiophenes. The synthesis of [PtLn(acac)] and [Ir(Ln)2(acac)] (n = 2 or 3) is described. The absorption and luminescence properties of these four new complexes are compared with the behavior of [PtL1(acac)] and [Ir(L1)2(acac)] [HL1 = 2-(2-thienyl)pyridine], and the profound differences in behavior are interpreted with the aid of time-dependent d. functional theory (TD-DFT) calculations Whereas [PtL1(acac)] displays solely intense phosphorescence from a triplet state of mixed ππ*/MLCT character, the phosphorescence of [PtL2(acac)] and [PtL3(acac)] is weak, strongly red shifted, and accompanied by higher-energy fluorescence. TD-DFT reveals that this difference is probably due to the metal character in the lowest-energy excited states being strongly attenuated upon introduction of the addnl. thienyl rings, such that the spin-orbit coupling effect of the metal in promoting intersystem crossing is reduced. A similar pattern of behavior is observed for the Ir complexes, except that the changeover to dual emission is delayed to the terthiophene complex [Ir(L3)2(acac)], reflecting the higher degree of metal character in the frontier orbitals of the Ir complexes than their Pt counterparts.
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