Charge-shift bonding and its manifestations in chemistry.

  title={Charge-shift bonding and its manifestations in chemistry.},
  author={Sason Shaik and David Danovich and Wei Wu and Philippe C. Hiberty},
  journal={Nature chemistry},
  volume={1 6},
Electron-pair bonding is a central chemical paradigm. Here, we show that alongside the two classical covalent and ionic bond families, there exists a class of charge-shift (CS) bonds wherein the electron-pair fluctuation has the dominant role. Charge-shift bonding shows large covalent-ionic resonance interaction energy, and depleted charge densities, and features typical to repulsive interactions, albeit the bond itself may well be strong. This bonding type is rooted in a mechanism whereby the… CONTINUE READING