An electron density analysis of the proximity effect in linear alkyl diethers

Atomic and bond properties within the atoms in molecules (AIM) approach have been computed for a series of 52 alkyl diethers of formula CH3(CH2)nO(CH2)lO(CH2)mCH3 on HF/6-31++G**//HF/6-31G* electron distributions. The results indicate that the mutual influence of oxygen atoms is negligible when they are separated by more than three methylene groups, and that 13 different approximate transferable oxygen atoms can be considered in alkyl diethers. The regression analysis indicates that the atomic population, and remaining non-energetic properties of the different transferable oxygens for l>3 agree within the statistical error with those for the corresponding alkyl monoethers.