Multiple Noncovalent Binding in the Intermediates and Products of the Reaction of N,N-Dimethylformamide with Bromine
Authors:
- 2 July 2024
- journal article
- research article
- Published by The Russian Academy of Sciences in Žurnal obŝej himii
- Vol. 94 (1) , 10-28
Abstract
Reaction of nonionic N,N-dimethylformamide (DMF) with bromine under controllable conditions leads to a number of ionic compounds, mainly to bis(N,N-dimethylformamide)hydrogen dibromobromate. Computations with DFT (ωB97xV/dgdzvp) were made for geometry, thermochemistry and electron configuration of products and supposed intermediates. Two labile particles [bis(N,N-dimethylformamide)hydrogen cation and dibromobromate-anion] form stable highly conductive ionic liquid that can be distilled in vacuo without losses or decomposition. A number of molecular complexes of DMF with bromine and water presumed to be intermediates of this reaction. It is a set of halogen and hydrogen bonding that provide an intramolecular binding in these complexes.Keywords
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