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. 2022 Jun 8;7(24):20528–20541. doi: 10.1021/acsomega.2c00001

Table 6. Role of the Core, Spacer, and Acceptor in Escalating the HOMO/LUMO Energy Levels of PCLR and PCLM1–PCLM5.

molecules HOMO = H LUMO = L core (eV) spacer (eV) acceptor (eV)
PCLR H 23.6 36.3 40.2
L 30.1 26.2 43.7
PCLM1 H 8.1 27.9 64
L 31.7 25.0 43.3
PCLM2 H 11.3 34.7 54.0
L 34.5 23.9 41.5
PCLM3 H 23.6 36.3 40.2
L 30.1 26.2 43.7
PCLM4 H 10.2 31.6 58.2
L 29.0 24.3 46.7
PCLM5 H 5.9 9.1 85.0
L 36.9 15.6 47.5