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计算了硅烷基(-SiABC)的基团电负性(x)和硅烷基中硅原子的原子势(n/r),并研究了Si-H和Si-D键的振动频率(v)与硅烷基的基团电负性(x)及硅烷基中硅原子的原子势(n/r)的关系。获得如下关系式γ·μ~(1/2)=235 x_(-SiABC)+1600 γ·μ~(1/2)=80 (n/r)_(-SiABC)+1758 其中,γ、μ、x_(-SiABC)、n和r分别为振动频率(cm~(-1))、约化质量、基团电负性、硅原子的有效电子个数及有效原子半径。
The electronegativity (x) of the silane group (-SiABC) and the atomic potential (n / r) of the silicon atom in the silyl group were calculated, and the relationship between the vibration frequency (v) The relationship between the electronegativity (x) of the silyl group and the atomic potential (n / r) of the silicon atom in the silyl group. The following relation is obtained: γ · μ ~ (1/2) = 235 x _ (- SiABC) +1600 γ · μ ~ (1/2) = 80 (n / r) _ (- SiABC) +1758 where γ, μ , X _ (- SiABC), n and r are vibrational frequency (cm -1), reduced mass, group electronegativity, number of effective electrons of silicon atom and effective atomic radius, respectively.