Electron Propagator Calculations Show that Alkyl Substituents Alter Porphyrin lonization Energies

摘要

Porphyrins and metalloporphyrins are crucial participants in biochemical processes that involve changes in oxidation states or electron transfer.These macrocyclic species perform their functions in a variety of protein scaffolds that have subtle effects on their electron binding energies and,therefore,on their reactivity.Therefore,electron binding energies of isolated species are useful data for those who would understand or modify the diverse reactive capabilities of this ubiquitous class of molecules.