Bridging-arylene effects on spectroscopic and photophysical properties of arylborane–dipyrrinato zinc(ii) complexes

Abstract

Electronic interactions between a bis(dipyrrinato)zinc(ii) and arylborane moieties were successfully tuned by a structure of bridging arylene groups. The excited state of a phenylene bridged complex was best characterized by the synergistic ππ*/ILCT.

1‐Benzyl‐1H‐indazol‐3‐ol Copper(II) Derivatives as Anticancer Agents: In‐vitro Interaction with DNA/BSA, DFT, Molecular Docking and Cytotoxicity on MCF7 Cells

“…The B3LYP exchange-correlation functional and the basis sets LANL2DZ for the Cu atom and 6-31G** for the other atoms including C, N and O were used for all computations, that were carried out in the gas phase. The computations were performed using the Gaussian 16 W [75,76] computer applications and Gauss View was used to draw the optimized structures and for visualizing the results. [77][78][79] Thus, in view of DFT results, new derivatives of Cu(II) have appeared in tetra coordination around copper as square planar geometry (Figure 10) derivatives and their respective bond lengths and (Table 5) depicts various calculations carried out by equations (SE3-SE8).…”