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Linear Multiselenium Interactions in Dicationic Oligomers of 1,5-(Diselena)canes: Behavior of Se_mc σ(m_c c-n_e e) (6≤m_c

Satoko Hayashi¹, Taro Nishide¹, Kengo Nagata¹

¹Faculty of Systems Engineering, Wakayama University, 930 Sakaedani, Wakayama, 640-8510, Japan.

|July 1, 2021

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 Se₁₆ 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 ψ₄₆₂ 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 (CH₂ )₃ moieties. The contour maps of ρ(r) are also drawn on the molecular C_s 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.

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