卤代烷第一电离能的变化规律研究

摘要

It can be expressed as following equation for the change rule of the firstionization potential(Ip) of halohydrocarbonRX :Ip(eV)=3.3380+0.7344Ep(X)+2.7424(1/ax)qx-1.4302PEI where Ep(X) and ax are the ionization potential of outermost P electron and atomic polarizability for halogen atom respectively,qx is the partial charge on halogen atom X in halohydrocarbon molecule RX,and PEI is the polarizability effect index of alkyl group in the molecule RX.The result shown there were good agreement between the ionization potential values estimatedn by above expression and the experimental values for the investigated halohydrocarbon.%卤代烷RX的第一电离能[WTBX]Ip的变化规律可用如下方程表示：Ip(eV)=3.3380+0.7344Ep(X)+2.7424[(1/ax)qx-1.4302PEI其中，Ep(X)、x分别为卤素原子最外层P电子的电离能和原子极化度，qx是卤代烷RX分子中卤原子X所带的部分电荷，PEI是RX分子中烷基R的极化效应指数。研究结果表明用上式估算卤代烷的第一电离能与实验值符合的比较好。