Preferred Label : delocalization energy;
Detailed label : delocalization energy (DE);
IUPAC acronym : DE;
IUPAC definition : The difference between the actual π-electron energy of a molecular entity and the
π-electron energy of a hypothetical species with a localized form of the π-electron
system. These energies are normally evaluated within Hückel molecular orbital theory.;
Origin ID : DT07020;
Automatic exact mappings (from CISMeF team)
- See also
The difference between the actual π-electron energy of a molecular entity and the
π-electron energy of a hypothetical species with a localized form of the π-electron
system. These energies are normally evaluated within Hückel molecular orbital theory.
