2023-10-05 08:30:00
Researchers at IOCB Prague have made a significant breakthrough in describing the behavior of an intriguing aromatic molecule: azulene. This achievement, considered a milestone in organic chemistry, is expected to influence the foundations of this discipline in the coming years and have practical applications in the efficient capture and utilization of light energy. The findings are detailed in the Journal of the American Chemical Society (JACS).
Azulene has baffled chemists for decades because of its unusual blue color for no apparent reason. Almost 50 years ago, Professor Josef Michl, linked to the IOCB, solved this enigma. Now, Dr. Tomás Slanina and his team have revealed why azulene defies Kasha’s universal rule in the emission of light in excited states.
The study was based on the concept of (anti)aromaticity. Azulene is initially unstable and antiaromatic, decaying rapidly in picoseconds without emitting light. Then, in a second step, it behaves like a stable aromatic substance, remaining in that excited state for a nanosecond, allowing it to emit high-energy light.
These findings have implications for the capture and utilization of light energy, such as solar energy, and charge separation in solar cells. Furthermore, the researchers show that azulene’s properties can be transferred to other aromatic molecules, which could lead to the creation of molecules more efficient in managing light energy.
Dr. Tomás Slanina comments: “I am attracted to simple theories that can be easily applied, and that is exactly what we have achieved. We have answered the question about the behavior of molecules using a very simple concept.”
This innovative study is based on advanced computational calculations and is also supported by experiments that confirm the accuracy of the data. Furthermore, it opens new doors to investigate higher excited states in molecules, a little explored field.
The collaboration with Professor Henrik Ottosson from Uppsala University in Sweden further strengthens this research, which is the second time JACS has shown interest in their collaboration, the first being in relation to benzene.
Azulene also has medical applications, since a derivative of it is found in Dermazulen, an ointment developed in the IOCB laboratories with healing and anti-inflammatory effects. This ointment has been a key item in first aid kits throughout the decades.
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