Bromination Mechanism of closo-1,2-C2 B10 H12 and the Structure of the Resulting 9-Br-closo-1,2-C2 B10 H11 Determined by Gas Electron Diffraction.

Holub J, Vishnevskiy Y, Fanfrlik J, Mitzel NW, Tikhonov D, Schwabedissen J, McKee ML, Hnyk D (2020)
ChemPlusChem 85(12): 2606-2610.

Zeitschriftenaufsatz | Veröffentlicht | Englisch
 
Download
OA 1.53 MB
Autor*in
Holub, Josef; Vishnevskiy, YuryUniBi; Fanfrlik, Jindrich; Mitzel, Norbert W.UniBi; Tikhonov, Denis; Schwabedissen, JanUniBi; McKee, Michael L; Hnyk, Drahomir
Abstract / Bemerkung
9-Br-closo-1,2-C2 B10 H11 has been prepared and its gas-phase structure has been examined by means of gas electron diffraction. The structure of the carbaborane core is similar to the structure of the parent compound, which is of C2v symmetry. A DFT-based search for the corresponding reaction pathway of the bromination of closo-1,2-C2 B10 H12 revealed that the catalytic amount of aluminum reduces the barrier of the initial attack of the bromination agent toward the negatively charged part of the icosahedral carbaborane, i.e., the first transition state, from about 40 to about 27 kcalmol-1 . The Br-Br bond is weakened by an intermediate binding to the large pi-hole on the aluminum atom of AlBr3 , which is the driving force for the AlBr3 -catalyzed bromination. © 2020 Wiley-VCH GmbH.
Erscheinungsjahr
2020
Zeitschriftentitel
ChemPlusChem
Band
85
Ausgabe
12
Seite(n)
2606-2610
eISSN
2192-6506
Finanzierungs-Informationen
Open-Access-Publikationskosten wurden durch die Universität Bielefeld im Rahmen des DEAL-Vertrags gefördert.
Page URI
https://pub.uni-bielefeld.de/record/2946680

Zitieren

Holub J, Vishnevskiy Y, Fanfrlik J, et al. Bromination Mechanism of closo-1,2-C2 B10 H12 and the Structure of the Resulting 9-Br-closo-1,2-C2 B10 H11 Determined by Gas Electron Diffraction. ChemPlusChem. 2020;85(12):2606-2610.
Holub, J., Vishnevskiy, Y., Fanfrlik, J., Mitzel, N. W., Tikhonov, D., Schwabedissen, J., McKee, M. L., et al. (2020). Bromination Mechanism of closo-1,2-C2 B10 H12 and the Structure of the Resulting 9-Br-closo-1,2-C2 B10 H11 Determined by Gas Electron Diffraction. ChemPlusChem, 85(12), 2606-2610. doi:10.1002/cplu.202000543
Holub, J., Vishnevskiy, Y., Fanfrlik, J., Mitzel, N. W., Tikhonov, D., Schwabedissen, J., McKee, M. L., and Hnyk, D. (2020). Bromination Mechanism of closo-1,2-C2 B10 H12 and the Structure of the Resulting 9-Br-closo-1,2-C2 B10 H11 Determined by Gas Electron Diffraction. ChemPlusChem 85, 2606-2610.
Holub, J., et al., 2020. Bromination Mechanism of closo-1,2-C2 B10 H12 and the Structure of the Resulting 9-Br-closo-1,2-C2 B10 H11 Determined by Gas Electron Diffraction. ChemPlusChem, 85(12), p 2606-2610.
J. Holub, et al., “Bromination Mechanism of closo-1,2-C2 B10 H12 and the Structure of the Resulting 9-Br-closo-1,2-C2 B10 H11 Determined by Gas Electron Diffraction.”, ChemPlusChem, vol. 85, 2020, pp. 2606-2610.
Holub, J., Vishnevskiy, Y., Fanfrlik, J., Mitzel, N.W., Tikhonov, D., Schwabedissen, J., McKee, M.L., Hnyk, D.: Bromination Mechanism of closo-1,2-C2 B10 H12 and the Structure of the Resulting 9-Br-closo-1,2-C2 B10 H11 Determined by Gas Electron Diffraction. ChemPlusChem. 85, 2606-2610 (2020).
Holub, Josef, Vishnevskiy, Yury, Fanfrlik, Jindrich, Mitzel, Norbert W., Tikhonov, Denis, Schwabedissen, Jan, McKee, Michael L, and Hnyk, Drahomir. “Bromination Mechanism of closo-1,2-C2 B10 H12 and the Structure of the Resulting 9-Br-closo-1,2-C2 B10 H11 Determined by Gas Electron Diffraction.”. ChemPlusChem 85.12 (2020): 2606-2610.
Alle Dateien verfügbar unter der/den folgenden Lizenz(en):
Creative Commons Namensnennung - Nicht kommerziell - Keine Bearbeitungen 4.0 International (CC BY-NC-ND 4.0):
Volltext(e)
Access Level
OA Open Access
Zuletzt Hochgeladen
2020-12-08T09:36:29Z
MD5 Prüfsumme
19a4378ae63dda4ac369aac70bb7165e

Export

Markieren/ Markierung löschen
Markierte Publikationen

Open Data PUB

Web of Science

Dieser Datensatz im Web of Science®

Quellen

PMID: 33029907
PubMed | Europe PMC

Suchen in

Google Scholar