Open AccessA Quantitative Molecular Orbital Perspective of the Chalcogen Bond
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 - Journals
SCImago Journal Rank - 0.644
H-Index - 29
ISSN - 2191-1363
DOI - 10.1002/open.202100066
Subject(s) - chalcogen , homo/lumo , chemistry , molecular orbital , crystallography , molecule , organic chemistry
Invited for this month's cover are the groups of Prof. Dr. Teodorico C. Ramalho (Federal University of Lavras and University Hradec Kralove) and Prof. Dr. F. Matthias Bickelhaupt (Vrije Universiteit Amsterdam and Radboud University). The cover picture shows the key message of their 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. Read the full text of their Full Paper at 10.1002/open.202000323.