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. 2022 Jan 5;12(2):1011–1020. doi: 10.1039/d1ra08133k

The absorption wavelengths λabs (nm) and emission wavelengths λem (nm) of molecules H101, CP1 and CP2 together with the Stocks shift at TD-BMK/6-31g(d) levels in dichloromethane solution.

Absorption Emission
λ abs f Assignments λ abs(exp.)a λ em Shift (nm)
H101 S0–S1 398 1.81 H → L (92.3%) 400 513 115
CP1 S0–S1 372 2.10 H → L (71.6%) 446 74
CP2 S0–S2 365 1.94 H → L + 1 (54.3%), H → L (7.8%) 437 72
a

Experimental value from ref. 35.