Geometric, optical, and phosphorescent properties of cationic Ir(III) and Rh(III) complexes with cyclometalated ligands: DFT/TDDFT investigations

N^N^C-Cyclometalated rhodium(iii) complexes with isomeric pyrimidine-based ligands: unveiling the impact of isomerism on structural motifs, luminescence and cytotoxicity

“…In this manuscript we focus on the investigation of the coordination behaviour of HL 2,5 and HL 2,6 toward rhodium(III) chloride and on unveiling the impact of isomerism on structures and properties. Our particular interest to rhodium complexes stems partly from our experience in rhodium chemistry [82][83][84] and partly from appealing properties this metal shows in the C-H bond activation and catalysis, [85][86][87][88][89][90][91] photochemistry [92][93][94][95][96][97][98][99][100][101][102][103][104][105][106][107] and bioinorganic chemistry. Along with the synthesis of HL 2,5 and HL 2,6 and their rhodium(III) complexes [RhL 2,5 (Solv)Cl 2 ]•nEtOH and [RhL 2,6 (Solv)Cl 2 ]•nEtOH, here we report the impact of isomerism on molecular and supramolecular structures of these compounds, on the photophysical properties of the rhodium(III) complexes and on the cytotoxic activity of the ligands and complexes.…”

Theoretical investigation on orange-emitting cyclometalated platinum (II) complexes containing organosilyl/organocarbon-substituted 2-(2-thienyl)pyridine ligands

“…Platinum (II) and iridium (III) complexes containing 2-phenylpyridyl (ppy) have been widely investigated due to their high luminescence efficiencies and stability [10,11]. To improve luminescence quantum yield of theses complexes, scientists have focused their studies on replacing phenyl and/or pyridine of ppy by another aromatic group (such as thiophene, picolinate, and Schiff base) [12][13][14][15] or by introducing electron donating and/or withdrawing groups at different site in ppy ligand [16][17][18]. Also, combination of C^N type ligands with acac ligand has also been considered to modify the optical properties of platinum complexes, notably the character of the lowest excited states to obtain better luminescence efficiency and tunable emission color [19][20][21].…”