The present work is devoted to study of atomic and electronic structure of nitrospiropyran molecules deposited on a Bi (111) substrate before and after irradiation by UV light and X-rays. The study was done using the density functional theory (DFT) and a theoretical analysis of the X-ray absorption fine structure (XAFS) spectroscopy. As a result of the calculations the low-energy structure for nitrospiropyran molecules on a Bi (111) substrate was obtained.
Keywords: local atomic and electronic structure, X-ray absorption spectroscopy, photoisomerization, density functional theory
The present work is devoted to the local atomic and electronic structure of dimetacyano (DMC) molecules deposited on a Bi (111) substrate before and after irradiation by X-rays and UV light using density functional theory (DFT) and a theoretical analysis of the X-ray absorption near edge structure (XANES) spectroscopy. As a result of the calculations the low-energy structure for DMC azobenzene molecules on a Bi (111) substrate was obtained.
Keywords: local atomic and electronic structure, X-ray absorption spectroscopy, photoisomerization, density functional theory
The influence of attendant anions on the transformation of zinc compounds in the soil was studied in a model experiment. The differences in the number of mobile forms of recoverable zinc in the soil, depending on its dose and form of addition were defined. Influence of associated anions on the content of metals mobile forms in the soil decreases in the order: PO42¯≈ Cl¯ > NO3¯ > SO42¯> СН3СОО¯> О¯. Transformation of zinc compounds during 2-year period after the receipt of the metal in the soil has been studied. There is no soil stabilization in ratio form for two years studying, indicating the low speeds transformation of metal compounds with soil components. Transformation of Zn in soil depends on the attendant anion, metal concentration in soil and time interaction with the solid phase of soils. The transformation process of metal adsorbed the soil goes toward to decrease of Zn mobility.
Keywords: transformation, ordinary chernozem, zinc, attendant anion