对咪唑与Ag(Ⅲ)表面相互作用的理论探讨

THE THEORY STUDY ON SURFACE INTERACTION OF IMIDAZOLO AND Ag(Ⅲ)

用量子化学半经验CNDO方法研究了咪唑与Ag(Ⅲ )表面的相互作用 ,咪唑与银表面吸附的最终结果应为表面单分子层而不是表面配位聚合物 .最后得出咪唑在Ag(Ⅲ )表面上发生的主要是桥式吸附 .

By using the quantum chemistry radius which examines CNDO, the surface interaction of imidazolo and Ag(Ⅲ) is studied, and it is illustrated that the surface absorption result of imidazolo and Ag surface is surface single molecule, not surface coordination polymer. It is concluded that it is the bridge adsorption that occurred on imidazolo and Ag surface.