Electrostatic Anisotropy, Donor-Acceptor Interactions and Polarization

Electrostatic Anisotropy, Donor-Acceptor Interactions and Polarization 

Chemists need to understand intermolecular interactions for any number of reasons ranging from crystal engineering [31] to dmg design [32]. This often results 

This exemplifies the problem faced by all partitioning and analysis schemes the effects to be assigned are not orthogonal, and, therefore, not uniquely separable. Every partitioning technique is necessarily arbitrary, so that closely related effects such as donor-acceptor interactions (charge transfer or covalent contributions) and polarization can combine or masquerade as each other. This does not have practical consequences because such closely related effects result in similar, if not identical, characteristics for the intermolecular interaction. 

However, at least the simple electrostatic effects (Coulomb interaction and polarization) can be identified uniquely by performing calculations that only allow electrostatics to influence the substrate molecule(s). 

---

T8.3 Electrostatic Anisotropy, Donor-Acceptor Interactions and Polarization 529... 

---