Spectroscopic and Computational Study on New Blue Emitting ReL(CO)₃Cl Complexes Containing Pyridylimidazo[1,5‐a]pyridine Ligands

Abstract

Keywords: Rhenium / X-ray structure / TDDFT / UV/Vis spectroscopy / Luminescence (L3), were studied by spectroscopy, X-ray diffraction, and computa-

Structure of [Ru(bpy)n(AP)(6-2n)]2+homogeneous complexes: DFT calculation vs. EXAFS

“…5 Phase and amplitude functions were calculated by FEFF6 code 12 using as input the structure obtained from DFT calculations (see Figure 1). Phase and amplitudes were successfully checked with [Ru(bpy) 3 ]Cl 2 as a model compound, measured in transmission mode with the same sampling procedure described for the liquid sample (only two spectra were collected in this case). For each sample the averaged k 2 χ(k) function was Fourier transformed in the ∆k = 2.00−18.00 Å −1 interval.…”

“…Energy calibration was at 23222 eV using a Rh metal foil. [Ru(bpy) 3 2+ . Due to Ru dilution, EXAFS spectra were collected in fluorescence mode, by means of a 13-element germanium monolithic detector, collecting the Ru K α1-3 fluorescence lines in the 18500−19500 eV range.…”

“…Light-irradiation of metal complexes can induce, for example, the formation of very reactive species, as well as promoting selective interaction between metal complexes and target macromolecules (DNA, proteins). In our attempt to develop photoactive metal complexes and study their excited-state chemistry, 3 two Ru-derivatives of potential interest for chemotherapy and their photodissociated products were studied with EXAFS. 4 The experiment was performed at ESRF beamline BM29, acquiring data both in transmission and in fluorescence mode.…”

Origin of a counterintuitive yellow light-emitting electrochemical cell based on a blue-emitting heteroleptic copper(i) complex

“…1. Here, the selection of the ancillary impy ligand was based on its simple one-pot synthesis and its absorption features in the ultraviolet region that might provide emission responses in the deep-blue region of the visible spectrum, [29][30][31] while the POP was selected as its bite angle stabilizes the tetrahedral coordination sphere in the excited state and avoids the formation of di-nuclear species. 20,21 Although 1 shows a deep-blue emission (λ = 450 nm) in solution, thin films, and crystalline powder, the device shows a yellow electroluminescence centered at ∼550 nm.…”

3‐(Pyridin‐2‐yl)imidazo[1,5‐a]pyridine (Pyridylindolizine) as Ligand in Complexes of Transition and Main‐Group Metals

“…The Py-indz ligand is also able to stabilize copper(I) and forms [Cu(PPh 3 ) 2 (Py-indz)]BF 4 (13). The synthesis of the carbonyl complexes [MBr(CO) 3 (Pyindz)] M = Mn (14), Re (15) and [Mo(CO) 4 (Py-indz)] (16) was followed by IR spectroscopy in solution. [RuCl·p-cym(Pyindz)]PF 6 (17, p-cym = p-cymene) has the familiar half-sandwich "three-legged piano-stool" geometry.…”