Abstract
AbstractThe relative polarizability effect of alkyl substituent can be conveniently obtained by calculating the so‐called Polarizability Effect Index (PEI) value, pro posed firstly in our laboratories, PEI = Σ (α/Ni2), where ai is the polarizability of primary units CH3, CH2‐, CH< and >C‐, and the Ni is the carbon atom number from reaction site to the primary unit. By using the PEI and atomic charge in a molecule, the ionization potential of alkyl halide, the enthalpy of reaction for the gas‐phase addition of a proton to an alcohol or ether (proton affinity), the gas‐phase basicity of alcohols or ethers (proton affinity), and gas‐phase acidity of alcohols can be quantitatively modeled by the two‐parameter expression equation.
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