ISMSM Image(s) of the Month!

3-D Molecular Structure demonstrating pyrene columns

Grey: carbon, white: hydrogen, green: chlorine, and brown: gallium.
Organic molecules and molecular ions often self-assemble into aggregates. In the case studied by Marina Petrukhina (University of Albany, NY) and ISMSM member Miklos Kertesz and their groups, the organic component of their material consists of columns of pyrene molecules charged on average by +1/2 electron’s charge. The unusual feature of their structure, explored by X-ray crystallography and quantum mechanical computations, is that the charge is localized on every other pyrene. Understanding the details of this and similar self-assembling is helpful in designing molecules and molecular processes that rely on molecule-molecule interactions, underlying much of soft matter science.
Their work appeared in Flynn, C., Zhou, Z., McCormack, M.E., Wei, Z., Petrukhina, M.A. and Kertesz, M., Bonding and Uneven Charge Distribution in Infinite Pyrene π-Stacks. CrystEngComm. 2022 (Just accepted).

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