Open AccessLinear Multiselenium Interactions in Dicationic Oligomers of 1,5‐(Diselena)canes: Behavior of Se mc σ( m c c‐ n e e) (6≤ m c ≤16) Elucidated with QTAIM Dual Functional Analysis
Author(s) -
Hayashi Satoko,
Nishide Taro,
Nagata Kengo,
Nakanishi Waro
Publication year - 2021
Publication title -
chemistryopen
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.644
H-Index - 29
ISSN - 2191-1363
DOI - 10.1002/open.202100118
Subject(s) - trimer , dimer , histone octamer , cover (algebra) , crystallography , chemistry , combinatorics , stereochemistry , polymer science , computational chemistry , mathematics , organic chemistry , engineering , mechanical engineering , biochemistry , nucleosome , gene , histone
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 16 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 462 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 2 ) 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.