Abstract
The recent experimental characterization of a 3D polybromide network containing the octahedral complex anion Br-(Br2) 6 by Feldmann's group [Wolff et al., Angew. Chem., Int. Ed. 50 (2011) 4970] sparked our interest to investigate the structures and bonding in Br -(Br2)n complexes, n = 1-6, with the aid of quantum mechanical calculations. The quantum theory of atoms in molecules (QTAIM) indicates the presence of closed-shell interactions between dibromine molecules and the bromide anion.
Original language | English |
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Pages (from-to) | 116-121 |
Number of pages | 6 |
Journal | Chemical Physics Letters |
Volume | 515 |
Issue number | 1-3 |
DOIs | |
Publication status | Published - 2011 Oct 17 |
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry