Open AccessFront Cover: A Quantitative Molecular Orbital Perspective of the Chalcogen Bond (4/2021)
Author(s) -
Azevedo Santos Lucas,
Lubbe Stephanie C. C.,
Hamlin Trevor A.,
Ramalho Teodorico C.,
Matthias Bickelhaupt F.
Publication year - 2021
Publication title -
chemistryopen
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.644
H-Index - 29
ISSN - 2191-1363
DOI - 10.1002/open.202100067
Subject(s) - chalcogen , homo/lumo , chemistry , crystallography , molecular orbital , molecule , computational chemistry , chemical physics , organic chemistry
The Front Cover shows the key message of our work, that is, the covalency of the chalcogen bonds, in an elegantly simple and attractive manner. To that end, the chalcogen bonds are represented by schematic 3D structures of the bond donor D 2 Ch and the bond acceptor A – , and their attractive interaction in green. Then, a colorful molecular orbital (MO) diagram where the HOMO–LUMO mixing is represented by the mixing of red (HOMO) and blue (LUMO) into purple (MO) is presented. More information can be found in the Full Paper by Lucas de Azevedo Santos et al.