The nature of resonance-assisted hydrogen bonds: a quantum chemical topology perspective

Abstract

We give a new interpretation of Resonance Assisted Hydrogen Bonds (RAHBs) in which RAHB formation leads to an overall electron localization excluding covalency as the main source of stabilization. The most relevant contributions to the RAHB energetics are electrostatics, polarization and charge transfer.

Aurora Costales Castro

Associate Professor

Associate Professor of Physical Chemistry at the University of Oviedo. Her research applies quantum chemical topology to study chemical bonding in solids, clusters, and molecular systems.