Optical properties of luteolin: DFT study

Luteolin is one of the most common flavonoids that can be found in many kinds of plants, including some fruits, vegetables and medicinal herbs.Different studies have shown that this flavonoid has pharmacological activities, such as antioxidant, anti-inflammatory, antimicrobial and anticarcinogenic ones.In this work we study Luteolin´s absorption and emission properties using the Time Dependent Density Functional Theory with Polarizable Continuum Model method.Calculations showed that the local minima in the excited state exist in both configurations: enol and keto of the Luteolin molecule in methanol as well as in vacuum.On the other hand, in the fundamental state, only for enol configuration an energy minimum was found.