Effect of carbazole and pyrrolidine functionalization of phenanthroline ligand on ground- and excited-state properties of rhenium(I) complexes. Interplay between 3MLCT and 3IL/3ILCT

A fundamental role of the solvent polarity and remote substitution of the 2-(4-R-phenyl)-1H-imidazo[4,5-f][1,10]phenanthroline framework in controlling the ground- and excited-state properties of Re(i) chromophores [ReCl(CO)3(R-C6H4-imphen)]

“…107–109 The chosen functional and basis sets were successfully verified in our previous work for Re( i ) carbonyl complexes. 78,87,88,110,111 In all calculations, the chloroform solvent environment was simulated using the polarizable continuum model (PCM) correction. 112–114…”

“…[107][108][109] The chosen functional and basis sets were successfully verified in our previous work for Re(I) carbonyl complexes. 78,87,88,110,111 In all calculations, the chloroform solvent environment was simulated using the polarizable continuum model (PCM) correction. [112][113][114] Electrochemical properties were estimated from cyclic voltammetry measurements carried out with a classic three-electrode system with a scan rate of 50 mV s −1 .…”

“…The fsTA spectra were measured using a pump-probe transient absorption spectroscopy system (Ultrafast Systems, Helios) described in our previous works. 110,111,115 All the femtosecond experiments were carried out for the solution samples (in THF), stirred during the experiments to avoid photoproduct interferences. The intensity of the first absorption band was in the range of 0.50-0.70 in the pumping wavelengths (corresponding to a concentration of 1.25 × 10 −4 and 2.5 × 10 −4 mol dm −3 for 1 and 5, respectively).…”

Cytotoxicity of fac-Mn(CO)3 complexes with a bidentate quinoline ligand towards triple negative breast cancer

“…To gain insight into the nature of the solvatochromic properties of the lowest energy transitions, electronic absorption spectra in solvents of varied polarities and H-bond types, e.g., water, DMSO, dimethylformamide, acetonitrile, methanol, dichloromethane, tetrahydrofuran, 1,4-dioxane, and toluene, were recorded. In both complexes, especially in the case of complex B, a band or a shoulder was observed in the range of 310-327 nm (Fig.3), in most of the solvents, which is independent of the solvent and could be attributed to the intra-ligand transition of π → π* nature 21. Complex A has poor solubility in water, toluene and THF (Fig.S3 †).…”

“…3), in most of the solvents, which is independent of the solvent and could be attributed to the intra-ligand transition of π → π* nature. 21 Complex A has poor solubility in water, toluene and THF (Fig. S3 †).…”