摘要
本文定义 :元素的能级连接性指数 1E为 :1E =Σ(δi×δj) - 0 .5,δ为最低空原子轨道主量子数 /最高占有原子轨道能量 (-eV) (或最高占有原子轨道主量子数 /最低空原子轨道能量 (-eV) ) .1E均对 16种P区氢化物呈现唯一性表征 ,并与其水溶液中的 pka值呈一元线性关系 .本文预测了 16种 p区氢化物在水溶液中的pka值 。
The topological index( 1E ) can be used to characterize the size, branching and shape of covalent hydrides, and bond energy between hyarogen atom and the elemental atom of p-zone in the periodic table. With this, a quatitative formula for calculating the pka values for covalent hyarides in aqueous solution is obtained, i.e.pka=3.8788 1E-23.867Hence we can take this formula to predict the pka values of 16 kinds of covalent hydrides in aqueous solution. The mean error between the results of observation and calculation is within 1.7644.
出处
《西南民族学院学报（自然科学版）》
CAS
2001年第4期437-439,共3页
Journal of Southwest Nationalities College(Natural Science Edition)
基金
乐山师院科研基金
