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在银电极表面4-氨基安替比林(4-AAP)分子自组装,形成单分子膜层.应用表面增强拉曼散射(SERS)光谱原位考察不同电位下4-AAP在电极表面的吸附机理及其组装液pH值对组装分子与银作用方式的影响.依据密度泛函数(DFT)理论预测4-AAP分子振动模式及其SERS光谱归属.结果表明:在开路电位下,组装层中的4-AAP分子以N15和O3为位点,由苯环倾斜和比林环垂直的方式吸附在银表面;但随着外加电位负移,4-AAP分子的苯环趋于垂直吸附而比林环则逐渐以平行方式靠近银表面.在-0.8V电位下,4-AAP分子从银表面脱附.酸性溶液中组装,形成的4-AAP膜层以N15和O3为位点吸附于银表面,比林环倾斜而苯环直立;碱性条件下,分子的吸附位点不变,比林环呈平行取向,而苯环倾斜于银表面.
4-ATA was self-assembled on silver electrode to form monolayer.The adsorption of 4-AAP on the electrode surface was investigated by SERS in situ Mechanism and the effect of the pH value of the assembly solution on the mode of action of the assembled molecules and silver were studied.The vibrational modes of the 4-AAP molecules and their SERS spectra were predicted by the density functional theory (DFT) theory.The results showed that under the open circuit potential 4-AAP molecules with N15 and O3 as the locus, the benzene ring tilt and the ring perpendicular to the ring adsorbed on the silver surface; but with the applied potential negative shift, 4-AAP molecules tend to vertical adsorption benzene ring than the forest The rings gradually approach the silver surface in a parallel manner. At the potential of -0.8V, the 4-AAP molecules are desorbed from the silver surface. The 4-AAP film, assembled in an acidic solution, adsorbs to the silver surface with N15 and O3 sites , The Bilin ring inclined and the benzene ring upright; under alkaline conditions, the molecular adsorption sites unchanged, the ring was parallel to the ring, while the benzene ring tilted on the silver surface.