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. 2021 Oct 7;11:19931. doi: 10.1038/s41598-021-99254-4

Table 2.

Wavelength (λmax), excitation energy (E) and oscillator strength (fos) of designed compounds in gas.

Compounds λ (nm) E (eV) f MO contributions
TPDR 639.29 1.94 2.14 H → L (97%)
TPD1 703.72 1.76 2.04 H → L (98%)
TPD2 714.65 1.73 2.08 H → L (97%)
TPD3 701.34 1.77 2.03 H → L (97%)
TPD4 761.15 1.63 2.02 H → L (98%)
TPD5 673.53 1.84 1.32 H → L + 2 (97%)
TPD6 712.31 1.74 1.88 H → L (97%)

MO molecular orbital, H HOMO, L LUMO.