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Information × Registration Number 0211U000792, 0110U000836 , R & D reports Title Enhancement of optical transitions of bioorganic molecules nanostructured surfaces. popup.stage_title Head Fesenko Olena Marynovna, Registration Date 24-02-2011 Organization Institute of physics NASU popup.description2 In the course of the project nanostructured metal surfaces, which are effective for detecting small quantities of biological molecules by SEIRA effect, will be characterized. Geometerical and optical parameters of nanostructured metal surfaces, which provide the best enhancement of IR adsorption of biological molecules will be determined. The influence of difference surface parameters (type and thickness of the metal film, surface morphology, roughness) and characteristics of the molecules (layer thickness, method of adsorption, type of molecular bonds) on enhancement will be revealed experimentally. Nanostructured metal surfaces were obtained by either thermal vacuum spraying of the metal or selective processes during non-equilibrium stationary condensation of Cu and Al. Quantum chemical calculations of optimal orientation and the binding parameters of the functional groups of bioorganic molecules with the metal surface are carried out to understand the SEIRA effect in details. Optimal binding of glycine molecules with gold clusters containing 4 atoms was determined in three different charge states of glycine. It was shown that binding of glycine is possible by means of carboxyl or amino group. The binding of the n-NBA molecules was also studied. During the binding of n-NBA with Au considerable charge transfer occurs from NBA to gold cluster. This transfer is much smaller in the case of binding by nitrogroup. This may be explained by the influence of negative charge of the carboxyl group, which localizes the anionic charge and prevents its transfer though the aromatic system. The charge transfer could be one the major factors, which lead to high enhancement in SEIRA experiments. Product Description popup.authors Єсилевський Семен Олександрович Фесенко Олена Марянівна popup.nrat_date 2020-04-02 Close