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Supramolecular architecture of [AsPh2Br2]2[(Br3)−…(Br2)…(Br3)−] obtained by bromination of (AsPh2)2S

Silaghi-Dumitrescu, Luminita; Attia, Amr A.A.; Silaghi-Dumitrescu, Radu; Blake, Alexander J.; Sowerby, D. Bryan

Authors

Luminita Silaghi-Dumitrescu

Amr A.A. Attia

Radu Silaghi-Dumitrescu

Alexander J. Blake

D. Bryan Sowerby



Abstract

Bromination of (AsPh2)2S leads to cleavage of the sulfide bridge to give AsPh2Br when 1 mol of bromine is used but with 2 mols the product is the polybromide, [AsPh2Br2]2[Br8], containing the previously unknown [AsPh2Br2]+ cation and a rare [(Br3)−…(Br2)…(Br3)−] ensemble whose short (yet not covalent) Br2…Br3 contacts have previously supported tentative description as an octabromide Br82− anion. X-ray crystallography shows that the compound has a three dimensional supramolecular structure based on cooperativity of weak intermolecular Csingle bondH…π, Csingle bondH…Br hydrogen bonds and secondary Br…Br interactions in the solid state. The electronic structure and the stability of the [AsPh2Br2]2[Br8] are rationalized using DFT and HF calculations and molecular orbital considerations.

Journal Article Type Article
Journal Inorganica Chimica Acta
Print ISSN 0020-1693
Electronic ISSN 0020-1693
Publisher Elsevier
Peer Reviewed Peer Reviewed
APA6 Citation Silaghi-Dumitrescu, L., Attia, A. A., Silaghi-Dumitrescu, R., Blake, A. J., & Sowerby, D. B. (in press). Supramolecular architecture of [AsPh2Br2]2[(Br3)−…(Br2)…(Br3)−] obtained by bromination of (AsPh2)2S. Inorganica Chimica Acta, doi:10.1016/j.ica.2017.08.052. ISSN 0020-1693
DOI https://doi.org/10.1016/j.ica.2017.08.052
Keywords arsenic, bromine, Br8, arsonium, crystal structure, DFT, supramolecular
Publisher URL http://www.sciencedirect.com/science/article/pii/S0020169317311210
Copyright Statement Copyright information regarding this work can be found at the following address: http://creativecommons.org/licenses/by-nc-nd/4.0
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Copyright Statement
Copyright information regarding this work can be found at the following address: http://creativecommons.org/licenses/by-nc-nd/4.0





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