Solute-Stationary Phase Interaction in Gas Liquid Chromatography. Relative Retention Values for Monosubstituted Benzene Derivatives and the Role of a New Descriptor for Regression Analysis

概要

論文の詳細を見る
The descriptor μ^2/α was introduced by the classical equations for the orientation and induction energies. As the descriptor has the dimension of energy, it is not convenient to discuss in detail. The dipole moment in the benzene series μ_<aro> is evaluated from both the bond moment μ_b and the mesomeric moment μ_m. We redefine the new descriptors σ_<bd> and σ_<ms> modifind to dimensionless values from μ_b and μ_m for the standard benzene as well as the descriptor σ_<S°>. The relative retention values logγ on monosubstituted benzene derivatives are analyzed satisfactorily, using σ_<S°>, σ_<bd>, and σ^+_<ms> for electron-donating group, and a new descriptor (σ_<S°>・σ_<bd>)^<1/2>(N), which has a relation to the depole moment of the excited state in C_<ipno&tg;-N bond of the aniline series.logγ=4.41(0.561)σ_<S°>+0.209(0.042)σ_<bd>+ 0.336(0.153)σ^+_<ms> + 1.592(0.441)(σ_<S°>・σ_<bd>)^<1/2>(N)+0.004(0.096)n=22,r=0.981,F=110.21,S.D.=0.064 It is suggested that E_<HB> of aniline or N, N-dimethylaniline can be expressed by E_<ES> in gaseous interaction.
1999-06-15