We found a match
Your institution may have access to this item. Find your institution then sign in to continue.
- Title
Charge‐Assisted Chalcogen Bonds: CSD and DFT Analyses and Biological Implication in Glucosidase Inhibitors.
- Authors
Galmés, Bartomeu; Juan‐Bals, Aida; Frontera, Antonio; Resnati, Giuseppe
- Abstract
This study reports a combined Cambridge Structural Database and theoretical DFT study of charge assisted chalcogen bonds involving sulfonium, selenonium, and telluronium cations. The chalcogen bond has been recently defined by IUPAC as the net attractive interaction between an electrophilic region associated with a chalcogen atom in a molecular entity and a nucleophilic region in another, or the same, molecular entity. Divalent chalcogen atoms typically have up to two σ‐holes and forms up to two ChBs; the same holds for tetravalent chalcogens which adopt a seesaw arrangement. In sulfonium, selenonium, and telluronium salts chalcogen atoms form three covalent bonds, three σ‐holes are located opposite to these bonds, and up to three charge assisted ChBs can be formed between these holes and the counterions. The covalent bond arrangement around these chalcogen atoms is similar to trivalent pnictogen atoms and translates into a similar pattern of noncovalent interactions. We have found and studied this type of charge‐assisted chalcogen bonds in various sulfonium ion‐containing inhibitors of glucosidase, for example, salacinol and kotalanol.
- Subjects
GLUCOSIDASE inhibitors; COVALENT bonds; GLUCOSIDASES; ATOMS; CHALCOGENS; CRYSTAL growth
- Publication
Chemistry - A European Journal, 2020, Vol 26, Issue 20, p4599
- ISSN
0947-6539
- Publication type
Academic Journal
- DOI
10.1002/chem.201905498