Skip to main content

Advertisement

Table 2 Computed absorbance (Eabs) and emission wavelength (λabs), oscillator strengths (f) and molecular orbital (MO) compositions for the low-lying excited singlet states of compound PTZON and PTZON-CN

From: A new phenothiazine-based selective visual and fluorescent sensor for cyanide

StateEabs/emλabs/emfMO
PTZON-S12.1343580.910.2915H-0 --> L+0 (98%)
PTZON-S22.5695482.520.0671H-0 --> L+1 (96%)
PTZON-S32.9716417.220.3952H-1 --> L+0 (93%)
PTZON-CN2.6879461.260.1057H-0 --> L+0 (99%)