Open shell (4 n + 2)π and closed shell 4 n π planar core-modified decaphyrins

Planar 44π and 46π core-modified decaphyrins with ten thiophene units have been synthesized from short thiophene oligomers. They have been structurally characterized by single crystal X-ray diffraction with further support from spectroscopic analysis and quantum chemical calculations. Our analysis r...

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Veröffentlicht in:Chemical science (Cambridge) 2024-04, Vol.15 (16), p.6022-6027
Hauptverfasser: Shukla, Pragati, Ambhore, Madan D, Anand, Venkataramanarao G
Format: Artikel
Sprache:eng
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Zusammenfassung:Planar 44π and 46π core-modified decaphyrins with ten thiophene units have been synthesized from short thiophene oligomers. They have been structurally characterized by single crystal X-ray diffraction with further support from spectroscopic analysis and quantum chemical calculations. Our analysis revealed diradicaloid characteristics for 46π species in contrast to the closed shell property of the 44π congener. Further, 44π and 46π undergo reversible two-electron chemical oxidation, as observed by spectro-electrochemical measurements.
ISSN:2041-6520
2041-6539
DOI:10.1039/d3sc05251f