How electron delocalization influences the electron-withdrawing properties of isomeric benzobischalcogenadiazoles

Electron delocalization in defect-containing graphene and its influence on tetrel bond formation

“…It has a physically intuitive interpretation: the wells in the v f ( r ) distribution correspond to the domains of maximum electron localization in the system (classically allowed areas), while the potential's barriers prevent delocalization of electrons through them (can be penetrated via tunnelling). This descriptor has already shown itself as a powerful tool for electron (de)localization studies in molecules, crystals, and macromolecules 46–49 and we suggest applying it now to the 2D periodic systems such as the defected graphene layer. We will demonstrate that the tools we offer for electron (de)localization estimation are useful for assessing the attenuation of a defect influence on a graphene surface.…”