• Parsnip8904@beehaw.org
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    1 year ago

    I skimmed through the linked science article. It seems like authors arranged cesium atoms on a metal surface to create localised molecular orbitals on the surface that were similar to orbitals in benzene.

    It seems you can essentially simulate what an electron would do in a benzene like system. I don’t think it will be a strict 1 to 1 correspondence though, but rather a sort of abstract equivalent in terms of structure and symmetry.

    • I love OChem and Biology, even help teach the topics. The fact is, structure equals function. So if it’s functional in a different manner, there must have been structural changes. If the metal surface allows for it and then the same reaction doesn’t occur when it’s removed, classifying this as a breakthrough is a strech at best.

      In the human body, ATP production requires a metal ion to shield a part of the mechanism to ensure the correct product as the output. As long as the metal surface functions similarly, we’ll have made benzene and not just force the function temporarily.

      • Parsnip8904@beehaw.org
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        1 year ago

        Glad to meet other people interested in stem :) I’m a physicist who used to work in quantum chemistry (not anymore though sadly).

        It is impossible to reproduce the wavefunction of a molecule in another molecule. Even the addition of a single hydrogen or electron changes the wavefunction. What you call molecular orbitals of benzene are the approximate solutions of stationary state Schrodinger equation that have somewhat fixed energy. They even change during the course of a reaction.

        It is impossible to recreate that without the exact same molecule. Instead what the authors have done is to reproduce something that has similar shape and symmetry as the homo/lumo of benzene. It will never react like benzene. Instead what it will do is to let us study how an electron would behave on benzene using all the awesome tools you have available for surfaces which is pretty amazing.