A Quantitative Molecular Orbital Perspective of the Chalcogen Bond

Lucas de Azevedo Santos, Stephanie C.C. van der Lubbe, Trevor A. Hamlin, Teodorico C. Ramalho, F. Matthias Bickelhaupt

Research output: Contribution to JournalArticleAcademicpeer-review


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 D2 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.
Original languageEnglish
Pages (from-to)389-390
Number of pages2
Issue number4
Early online date1 Apr 2021
Publication statusPublished - Apr 2021


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