In this work, the crystal properties, HOMO and LUMO energies, band gaps, density of states, as well as the optical absorption spectra of fullerene C60 and its derivative phenyl-C61-butyric-acid-methyl-ester (PCBM) co-crystallised with various solvents such as benzene, biphenyl, cyclohexane, and chlorobenzene were investigated computationally using linear-scaling density functional theory with p...

An increase of the intracellular reactive oxygen species (ROS) concentration leads to the development of oxidative stress and, thus, to the damage of cell components. The cause-and-effect relations between these processes have not been fully established yet. The ability of photo excited supramolecular composites containing fullerenes C60 immobilized at nanosilica particles to generate reactive ...

Fullerene (C60) films were prepared on Si, ITO, and Cu substrates by the physical vapor deposition (PVD) method. It was observed that the morphology and structure of fullerene films strongly depend on the substrates. Along with the interactions between fullerenes and substrates increasing from ITO, Si to Cu substrate, C60 forms small polycrystalline grains, large polycrystalline grains and full...

The quenching rate constants of singlet oxygen by C60, H2@C60, D2@C6o, H2, and D2 in solution were measured. The presence of a hydrogen (H2@C60) or deuterium (D2@C60) molecule inside the fullerene did not produce any observable effect based on triplet lifetime or EPR measurements. However, a remarkable effect was found for the 1O2 quenching by C60, H2@C60, D2@C6o, H2, and D2. Singlet oxygen was...

Optical glasses doped with a fullerene mixture of C60/C70 were made in our lab. Three peaks, corresponding to C60 , C70 , and a modified fullerene ~possibly its oxide!, respectively, were found in the chromatogram of high performance liquid chromatography ~HPLC! analysis of the 0.1-wt % fullerene doped phosphate glass. Depending on the doping procedure and impurity, weak to strong interacting b...

A novel fullerene derivative including a chelating group attached to the fullerene core has been prepared by photoreaction of C60 and sodium diethyldithiocarbamate (NaDDC) in toluene-methanol medium. The optimization of the synthesis procedure was monitored by UV-visible spectroscopy using the spectrum of C60 fullerene as reference; the new material, a C60-NaDDC monoadduct, showed a shoulder at...

A fundamental chemical question concerning the fullerenes involves their aromatic nature. For many reasons, it is impossible to experimentally obtain anything that is similar to a resonance energy for a fullerene. We must therefore rely on information obtained from magnetic properties. Since fullerenes are borderless polycyclic conjugated systems with internal cavities, it is possible to study ...

The behavior of intermolecular interactions in fresh and aged solutions fullerene C60 neat N-methyl-2-pyrrolidone (NMP), as well NMP/xylene mixed solvents, were studied by the methods ultraviolet-visible spectroscopy dynamic light scattering (DLS). It has been experimentally shown that aging C60/NMP solution leads to disappearance characteristic maximum molecular absorption at ∼330 nm with smoo...

The contribution deals with preparation of C60 fullerene derivatives (oxo derivative, bromo derivative, hydrolyzed bromo derivative, bromo-ch loro derivative), their identification and pilot testing of their biological effects on unicellu lar organisms. The contribution describes effects of C60 fullerene derivatives, both on prokaryotic organisms (bacteria, cyanobacteria) and eukaryotic organis...

The self-organization of C60 fullerene and cisplatin in aqueous solution was investigated using the computer simulation, dynamic light scattering and atomic force microscopy techniques. The results evidence the complexation between the two compounds. The genotoxicity of С60 fullerene, Cis and their complex was evaluated in vitro with the comet assay using human resting lymphocytes and lymphocyt...