The Neglected Nuclei

Abstract

Since the nuclei in a molecule are treated as stationary, it is perhaps natural that interpretations of molecular properties and reactivity have focused primarily upon the electronic density distribution. The role of the nuclei has generally received little explicit consideration. Our objective has been to at least partially redress this imbalance in emphasis. We discuss a number of examples in which the nuclei play the determining role with respect to molecular properties and reactive behavior. It follows that conventional interpretations based solely upon electronic densities and donating or withdrawing tendencies should be made with caution.

Keywords

• electrostatic potentials
• electronic density donation and withdrawal
• electrostatic potentials at nuclei
• through-space effects of nuclei
• polarization
• nuclear potentials