Researchers have demonstrated how stable aromatic compounds can change after absorbing light using computer simulations. Long-term uses of the findings could be found in molecular machineries, medicine, and solar energy storage, among other fields.
FULL STORY
Computer models have been used by
Linköping University researchers to demonstrate how stable aromatic compounds
can change after absorbing light. The findings, which were reported in the
Journal of Organic Chemistry, could eventually be used in fields like molecular
machinery, medicine, and the storage of solar energy.
"Everyone is aware of how
good gasoline smells. This is so because benzene, an aromatic chemical, is
present. Furthermore, aromatic compounds have several beneficial chemical
properties in addition to their pleasant scent. Our discovery allows us to add
more qualities, "explains Bo Durbeej, a Linköping University professor of
computational physics.
In conventional organic chemistry,
heat can be utilized to start reactions. However, because an aromatic molecule
is a persistent hydrocarbon, it can be challenging to start reactions between
it and other molecules just by heating them. This is as a result of the
molecule's existing optimum energy state. On the other hand, an aromatic
molecule can arise in a process very quickly.
Now, Linköping University
researchers have demonstrated through computer simulations that it is feasible
to light-activate aromatic compounds. These kinds of reactions are referred to
as photochemical reactions.a
According to Bo Durbeej,
"Light can help an aromatic molecule to become antiaromatic, and therefore
extremely reactive. This is a new technique to manage photochemical reactions
utilizing the aromaticity of the molecules. It is feasible to add more energy
using light than using heat in this scenario.
When the study was published, the
outcome was deemed significant enough to be featured on the front cover of the
Journal of Organic Chemistry. It may be used in a variety of contexts in the
long run. Although the focus of Bo Durbeej's research team is on solar energy
storage, he also sees promise in molecular machines, molecular synthesis, and
photopharmacology. In the latter case, it might be able to selectively activate
aromatic drug molecules using light at a site in the body where the desired
pharmacological effect is desired.
"In some circumstances,
providing heat is not possible without endangering neighboring structures, such
as body tissue. However, it should be feasible to provide light, "Bo
Durbeej says.
By looking at the inverse
connection in the simulations, the researchers investigated the idea that the loss
of aromaticity was what caused the increase in reactivity. In this instance,
scientists began with an unstable antiaromatic molecule and then simulated
subjecting it to light irradiation. The result was the creation of an aromatic
compound, and the researchers observed that the reactivity was lost as they had
predicted.
According to Bo Durbeej, "Our
discovery extends the concept of 'aromaticity', and we have shown that we can
use this concept in organic photochemistry,"
The Olle Engkvist Foundation, the
Swedish Research Council, Forsk, and the Carl Trygger Foundation all provided
funding for the study. The calculations were done at Linköping University's
National Supercomputer Center with assistance from the Swedish National
Infrastructure for Computing (SNIC).
Story Source:
Materials provided by Linköping University. Original written by Anders
Törneholm. Note: Content may be edited for style and length.
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