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 |
Experimental value from ref. 35.