5. Outlook and development

Molecules suitable for blue emission and capable of producing high-performance diodes are still rare. Access to these molecules often requires extensive synthesis work. For some years now, chemists have had access to a new tool, molecular modeling, which must be used upstream of the synthesis process. This tool must be used to determine the HOMO and LUMO levels, to determine the optical gap which can give an indication of the molecule's emission color, and to analyze the nature of the HOMO and LUMO orbitals to see if charge transfer may exist. A recent paper made theoretical predictions of the properties of D-π-A type molecules by associating six donors and four acceptors with a π biphenyl system ...