Electron solvation in liquid 1-propanol and 2-propanol. Effect of microscopic liquid structure

Difference in processes of electron solvation in primary and secondary alcohols is assumed usually as resulting from difference in microscopic structure of the two liquids. To check validity of this assumption for primary localization of an excess electron we analyse the pre-existing electron traps found in computer-generated structures of 1-propanol (1P) and 2-propanol (2P) at room temperature. Properties of these traps such as shape, volume or depth, are considered in relation to the local arrangement of molecules around the trap