Journal: Journal of medicinal chemistry

Article Title: Ultrabright and Serum-Stable Squaraine Dyes

doi: 10.1021/acs.jmedchem.0c00617

Figure Lengend Snippet: (left) DFT calculations (Wavefunction, Spartan’10, B3LYP 6–311++G**) confirmed the presence of a salt bridge between the quaternary ammonium cation and the delocalized negative charge across the central oxygens in both the symmetric and asymmetric compounds; (right) schematic cartoon showing the locked nature of the double bonds, which is thought to contribute to improved absorptivity, QY, and stability.

Article Snippet: This could be because of a heavy atom stabilization of the triplet state or increased hydrophobicity and diminishment of fluorescence because of micro-aggregation. fig ft0 fig mode=article f1 fig/graphic|fig/alternatives/graphic mode="anchored" m1 Open in a separate window Figure 3. caption a7 (left) DFT calculations (Wavefunction, Spartan’10, B3LYP 6–311++G**) confirmed the presence of a salt bridge between the quaternary ammonium cation and the delocalized negative charge across the central oxygens in both the symmetric and asymmetric compounds; (right) schematic cartoon showing the locked nature of the double bonds, which is thought to contribute to improved absorptivity, QY, and stability.

Techniques: