Study on the Change Rule of the First Ionization Potential for Halohydrocarbon
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Abstract
It can be expressed as following equation for the change rule of the first ionization potential (Ip) of halohydrocarbon RX:Ip(eV) = 3.3380 + 0.7344Ep(X)+ 2.74224 (1/(ax ))qx - 1 .4302PEIwhere 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 estimated by above expression and the experiment values for the investigated halohydrocarbon.
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