From the commonly known metal-based chemotherapeutics, like cisplatin, there is ongoing interest in searching for some of their alternatives, including copper complexes containing organic groups. In this paper, we report the results of the preliminary examination of copper-based compounds, which are studied with the use of the laboratory XAS setup, that are compared with data obtained at the synchrotron facility. Identification of spectral features and oxidation state of copper was successfully performed based only on the laboratory data, however, some limitation of this test apparatus is also reported. Additionally, we performed first testing of the laboratory XAS spectrometer to study more complex compounds, which could be used in anticancer therapy, than metallic foils, which are usually used to estimate the experimental capabilities of such setups.

The electronic structure of transition-metal oxides is a key component responsible for material's optical and chemical properties. Specifically for metal-oxide structures, the crystal-field interaction determines the shape, strength, and occupancy of electronic orbitals. Consequently, the crystal-field splitting and resulting unoccupied state populations can be foreseen as modeling factors of the photochemical activity. Herein, we study the formation of crystal-field effects during thermal oxidation of titanium in an ambient atmosphere and range of temperatures. The X-ray absorption spectroscopy is employed for quantitative analysis of average t2g-eg crystal-field splitting (Δoct) and relative t2g/eg bands occupancy. The obtained result shows that Δoct changes as a function of temperature from 1.97 eV for a passive oxide layer created on a Ti metal surface at room temperature to 2.41 eV at 600 °C when the material changes into the TiO2 rutile phase. On the basis of XAS data analysis, we show that the Δoct values determined from L2 and L3 absorption edges are equal, indicating that the 2p1/2 and 2p3/2 core holes screen the t2g and eg electronic states in a similar manner.

New alternatives of platinum chemotherapeutics are still in the area of interest of many researches, that concentrates around other metal compounds, like copper. In this paper we demonstrate applicability of laboratory X-Ray Absorption Spectroscopy (XAS) experiments to study Cu-based materials. Unoccupied electronic structure of Cu(1,10-phenanthroline)Cl2 compound was examined. Herein we present obtained results supported with density of states calculations to determine the atomic contributions of ligands to Cu electronic states. Due to a specific molecular geometry, the Cu(1,10-phenanthroline)Cl2 complex is regarded as a potential candidate to coordinate to nitrogenous bases and in a consequence to break DNA at specific sites. The fundamental understanding of the electronic properties of this compound is thus crucial for any future application studies.