at Google ScholarTitle data
Wrackmeyer, Bernd ; Klimkina, Elena V. ; Milius, Wolfgang:
1,3,2-Diselenaborolanes with an Annelated Dicarba-closo-dodecaborane(12) Unit : Synthesis, Molecular Structure and Reactivity.
In: European Journal of Inorganic Chemistry.
Vol. 28
(8 October 2011)
.
- pp. 4481-4492.
ISSN 1099-0682
DOI: https://doi.org/10.1002/ejic.201100563
Abstract in another language
Exchange reactions of 2,2-dimethyl-1,3-diselena-2-silacyclopentane and 2,2,3,3-tetramethyl-1,4-diselena-2,3-disilacyclohexane, as the 4,5- and 5,6-[1,2-dicarba-closo-dodecaborano(12)] derivatives, respectively, with boron trihalides (BCl3, BBr3, BI3) and dichlorides (PhBCl2, iPr2NBCl2) afford the corresponding 1,3,2-diselenaborolanes in essentially quantitative yield. The products were characterized in solution by multinuclear magnetic resonance spectroscopy (1H, 11B, 13C, 29Si, 77Se), and for two products, in the solid state by X-ray structural analysis. Attempts to synthesize the boron fluoride failed, and the methoxy derivative was obtained in a mixture with a decomposition product. The gas-phase structures of all relevant products were optimized by DFT hybrid methods [RB3LYP/6-311+G(d.p) level of theory], and NMR parameters (shielding constants and spin–spin coupling constants) were calculated. The calculated data compare well with experimental data, both for the structures and the NMR spectroscopic parameters.
Further data
| Item Type: | Article in a journal |
|---|---|
| Refereed: | Yes |
| Keywords: | Main group elements; Carboranes; Boron; Selenium; Heterocycles; Density functional calculations; Multinuclear NMR spectroscopy |
| Institutions of the University: | Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Chair Inorganic Chemistry I Faculties Faculties > Faculty of Biology, Chemistry and Earth Sciences Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry |
| Result of work at the UBT: | Yes |
| DDC Subjects: | 500 Science > 540 Chemistry |
| Date Deposited: | 22 Mar 2018 13:59 |
| Last Modified: | 22 Mar 2018 13:59 |
| URI: | https://eref.uni-bayreuth.de/id/eprint/9873 |