Charge transfer and chemical potential in 1,3-dipolar cycloadditions

We revisit the role of the electronic chemical potential as the indicator for the tendency of chemical species to attract or donate electrons. Studying a set of 1,3-dipolar cycloadditions shows that the classical Mulliken expression is insufficient in some cases to accurately predict the direction of electron transfer. Agreement with experimental results can be achieved by including the effects of interactions between the reacting partners in …