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. 2022 Jun 23;7(27):23532–23548. doi: 10.1021/acsomega.2c02052

Table 2. Oscillator Strength (Fos), Wavelength (λ), and Excitation Energy (E) of CC10R and CC10D1CC10D8a.

compounds λ (nm) E (eV) fos MO contributions
CC10R 714.354 1.736 1.602 H → L (95%), H-1 → L+1 (2%)
CC10D1 709.896 1.747 0.538 H → L (93%) H-2 → L (2%), H-1 → L (3%)
CC10D2 782.674 1.584 0.489 H → L (93%), H-1 → L (3%)
CC10D3 741.305 1.673 0.486 H → L (93%), H-2L (2%), H-1 → L (3%)
CC10D4 774.944 1.599 0.503 H → L (94%), H-1 → L (3%)
CC10D5 726.408 1.706 0.493 H → L (93%), H-2 → L (2%), H-1 → L (3%)
CC10D6 758.679 1.634 0.529 H → L (94%), H-1 → L (3%)
CC10D7 665.539 1.863 0.509 H → L (94%), H-2 → L (2%), H-1 → L (2%)
CC10D8 666.685 1.859 0.585 H → L (93%), H-2 → L (2%), H-1 → L (3%)
a

MO = molecular orbital; H = HOMO; L = LUMO; fos = oscillator strength.