Supramolecular architecture of [AsPh2Br2]2[(Br3)−…(Br2)…(Br3)−] obtained by bromination of (AsPh2)2S
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 covalen...
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| Format: | Article |
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Elsevier
2017
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| Online Access: | https://eprints.nottingham.ac.uk/47813/ |
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| author | Silaghi-Dumitrescu, Luminita Attia, Amr A.A. Silaghi-Dumitrescu, Radu Blake, Alexander J. Sowerby, D. Bryan |
| author_facet | Silaghi-Dumitrescu, Luminita Attia, Amr A.A. Silaghi-Dumitrescu, Radu Blake, Alexander J. Sowerby, D. Bryan |
| author_sort | Silaghi-Dumitrescu, Luminita |
| building | Nottingham Research Data Repository |
| collection | Online Access |
| description | 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. |
| first_indexed | 2025-11-14T20:07:00Z |
| format | Article |
| id | nottingham-47813 |
| institution | University of Nottingham Malaysia Campus |
| institution_category | Local University |
| last_indexed | 2025-11-14T20:07:00Z |
| publishDate | 2017 |
| publisher | Elsevier |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | nottingham-478132020-05-04T19:04:11Z https://eprints.nottingham.ac.uk/47813/ 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 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. Elsevier 2017-08-31 Article PeerReviewed Silaghi-Dumitrescu, Luminita, Attia, Amr A.A., Silaghi-Dumitrescu, Radu, Blake, Alexander J. and Sowerby, D. Bryan (2017) Supramolecular architecture of [AsPh2Br2]2[(Br3)−…(Br2)…(Br3)−] obtained by bromination of (AsPh2)2S. Inorganica Chimica Acta . ISSN 0020-1693 (In Press) arsenic bromine Br8 arsonium crystal structure DFT supramolecular http://www.sciencedirect.com/science/article/pii/S0020169317311210 doi:10.1016/j.ica.2017.08.052 doi:10.1016/j.ica.2017.08.052 |
| spellingShingle | arsenic bromine Br8 arsonium crystal structure DFT supramolecular Silaghi-Dumitrescu, Luminita Attia, Amr A.A. Silaghi-Dumitrescu, Radu Blake, Alexander J. Sowerby, D. Bryan Supramolecular architecture of [AsPh2Br2]2[(Br3)−…(Br2)…(Br3)−] obtained by bromination of (AsPh2)2S |
| title | Supramolecular architecture of [AsPh2Br2]2[(Br3)−…(Br2)…(Br3)−] obtained by bromination of (AsPh2)2S |
| title_full | Supramolecular architecture of [AsPh2Br2]2[(Br3)−…(Br2)…(Br3)−] obtained by bromination of (AsPh2)2S |
| title_fullStr | Supramolecular architecture of [AsPh2Br2]2[(Br3)−…(Br2)…(Br3)−] obtained by bromination of (AsPh2)2S |
| title_full_unstemmed | Supramolecular architecture of [AsPh2Br2]2[(Br3)−…(Br2)…(Br3)−] obtained by bromination of (AsPh2)2S |
| title_short | Supramolecular architecture of [AsPh2Br2]2[(Br3)−…(Br2)…(Br3)−] obtained by bromination of (AsPh2)2S |
| title_sort | supramolecular architecture of [asph2br2]2[(br3)−…(br2)…(br3)−] obtained by bromination of (asph2)2s |
| topic | arsenic bromine Br8 arsonium crystal structure DFT supramolecular |
| url | https://eprints.nottingham.ac.uk/47813/ https://eprints.nottingham.ac.uk/47813/ https://eprints.nottingham.ac.uk/47813/ |