Experimental (SERS) And Theoretical (DFT) Studies On The Adsorption Of Benezen Derivativatives On Gold/Silver Nanoparticles

Surface-enhanced Raman scattering (SERS) is a technology that has shown great advantage in high sensitivity and high quenching of the fluorescence. It is a powerful utility in studying the surface characteristic of the substrates and the surface configuration of the adsorbates. Colloidal particle is nanometer-level particle, which has many advantageous characteristics differed from other traditional macro-level material. Thus, the SERS technology with the nano-particles as the SERS-active substrate has been wide applied in many fields such as biology, physics, chemistry, material and so on. Consequently, it is fairly significant with the SERS technology to detect the adsorptive behavior of the molecules with representative configuration, to acquire the influencing factors to the molecules' adsorptive behavior and to grasp the adsorptive rule of representative molecules adsorbed on the surfaces of nano-particles, which is very helpful to further study SERS mechanism and to further extend SERS application.The vibrational enhancement of molecules lies on the adsorptive behavior of the molecules adsorbed on the metal surfaces. While the most two important factors that could influence the molecules' adsorptive behavior is the surfaces characteristic of the SERS-active substrates and the surface configuration of the adsorbate molecules. There has been some articles in this aspect, most of which concentrate on the details study of certain specific application, and the systemic and general experiment analyse, but the theoretical instruction are very scarce in the study of the adsorptive behavior's variation of the molecules with representative configuration adsorbed on the different characteristic substrates.Theoretically, a simple model describes the combination of substrate and the adsorbed molecule properly, the establishment of which has some difficulty. But, once the simple model has been established, the simple model can be used to calculate the vibration spectrum easily. Quantum chemically, one can treat the problem in two different ways: the first approach being...