at Google ScholarTitle data
Wrackmeyer, Bernd ; Klimkina, Elena V. ; Milius, Wolfgang:
A spirocyclic borate and a dihydroborate derived from the 1,2-diselenolato-1,2-dicarba-closo-dodecaborane(12) dianion [1,2-(1,2-C2B10H10)Se2]2- : structures, NMR spectroscopy, and DFT calculations.
In: European Journal of Inorganic Chemistry.
Vol. 2011
(May 2011)
Issue 13
.
- pp. 2164-2171.
ISSN 1099-0682
DOI: https://doi.org/10.1002/ejic.201001324
Abstract in another language
The reaction of the diselenolato-1,2-dicarba-closo-dodecaborane(12) dianion with BF3–OEt2 affords selectively a spirocyclic bis(1,2-dicarba-closo-dodecaborane-1,2-diselena)borate, whereas the analogous reaction with boron trichloride leads mainly to 1,2-bis(ethylseleno)-1,2-dicarba-closo-dodecaborane(12) through ether cleavage. The spirocyclic borate reacts with methanol by cleavage of both Se–B and Se–C bonds. With borane in THF (BH3/THF) and also with LiBH4 exchange reactions take place, which afford the 1,2-dicarba-closo-dodecaborane-1,2-diselenadihydroborate. The molecular structures of both borates as tetrabutylammonium salts were determined by X-ray analysis. In solution, the borates were characterized by multinuclear magnetic resonance spectroscopy (1H, 11B, 13C, 77Se). The gas-phase geometries of the borate anions were optimized [RB3LYP/6-3111+G(d,p) level of theory], and the NMR spectroscopic parameters (chemical shifts and coupling constants) were calculated.
Further data
| Item Type: | Article in a journal |
|---|---|
| Refereed: | Yes |
| Keywords: | Borates; Carboranes; Selenium; NMR spectroscopy; X-ray diffraction |
| 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 14:05 |
| Last Modified: | 22 Mar 2018 14:05 |
| URI: | https://eref.uni-bayreuth.de/id/eprint/9875 |