- Article
Structural and Vibrational Characterizations of Alizarin Red S
- César A. N. Catalán,
- Licínia L. G. Justino,
- Rui Fausto,
- Gulce O. Ildiz and
- Silvia Antonia Brandán
In this work, the structures of the isolated anion and anhydrous and monohydrated sodium salts of alizarin red S (ARS) have been theoretically investigated within the density functional theory framework (B3LYP/6-311++G** calculations). The combinatio...