Loading Thiacorrole with Various Aromatic Rings: Enhanced NIR Absorption and Improved OER Activity

A series
of aromatic ring-fused thiacorroles have been
synthesized
through the Diels–Alder reaction of sulfolenothiacorroles.
The resulting π-extension leads to bathochromic absorption with
an enhanced Q-band intensity up to 850 nm. DFT calculation indicates
the peripheral annulations reduce the HOMO–LUMO gaps through
the significantly decreasing LUMO levels with respect to HOMO levels.
Moreover, the π-extended thiacorroles exhibit better electrocatalytic
OER activities than the regular thiacorrole.