AI Article Synopsis
- The cover picture features Dr. Satoko Hayashi’s research group from Wakayama University, showcasing interactions in a specific molecular structure, the dicationic octamer of 1,5-(diselena)cane.
- The molecular graph highlights the stabilization of the structure through effective engagement between (CH) groups, with HOMO-1 being primarily located on selenium atoms.
- Contour maps illustrate the interactions between selenium atoms in the dimer and trimer structures, providing deeper insight into their molecular connectivity.
Article Abstract
Invited for this month's cover picture is the group of Dr. Satoko Hayashi at Faculty of Systems Engineering and Chemistry at Wakayama University. The cover picture shows the linear Se σ(16c-30e) interactions, illustrated by the molecular graph type on the optimized structure of the dicationic octamer of 1,5-(diselena)cane. HOMO-1 of ψ is drawn on the structure, which is located predominantly on the Se atoms. The optimized structure is stable, due to the nice engagement between the (CH ) moieties. The contour maps of ρ(r) are also drawn on the molecular C planes of the dicationic dimer and trimer to demonstrate clearly the existence of the interactions between Se atoms. Read the full text of their Full Paper at 10.1002/open.202100017.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8248914 | PMC |
| http://dx.doi.org/10.1002/open.202100118 | DOI Listing |
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