Theoretical study on the geometry, aromaticity and electronic properties of porphyrin analogues

Key Points

• To explore how the size and bridging motifs of porphyrin analogues affect their geometry and electronic properties using computational methods.
• Employed density functional theory calculations
• Investigated various porphyrin analogues
• Analyzed differences in macrocyclic size and bridging motifs
• Identified variations in geometric configurations among analogues
• Revealed differences in electronic properties related to aromaticity
• Demonstrated the influence of macrocyclic size on electronic characteristics

Abstract