A new substituent constant from IP of substituted benzenes
In this work,a new substituent effect constant,namely electron ionization substituent constant was proposed,which was taken directly from the vertical ionization potentials of substituted benzenes measured by photoelectron spectroscopy.The investigation results showed that the proposed constant was essentially different from the existing polar substituent constants and the existing radical substituent constants.For different aromatic compounds,the availability of the new constant was confirmed by the good correlations with IP of different methods.The constant was also employed to scale the substituent effect on enthalpies of complexation for some para-substituted aromatic carbonyl compounds.It was expected that the electron ionization substituent constant can be applied to QSPR study on organic ionic compounds.
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