In:
Chemistry – A European Journal, Wiley, Vol. 25, No. 22 ( 2019-04-17), p. 5793-5802
Kurzfassung:
[Br 3 ][SbF 6 ] and [Br 3 ][IrF 6 ] were synthesized by interaction of BrF 3 with Sb 2 O 3 or iridium metal, respectively. The former compound crystallizes in the orthorhombic space group Pbcn (No. 60) with a =11.9269(7), b =11.5370(7), c =12.0640(6) Å, V =1660.01(16) Å 3 , Z =8 at 100 K. The latter compound crystallizes in the triclinic space group P (No. 2) with a =5.4686(5), b =7.6861(8), c =9.9830(9) Å, α =85.320(8), β =82.060(7), γ =78.466(7)°, V =406.56(7) Å 3 , Z =2 at 100 K. Both compounds contain the cation [Br 3 ] + , which has a bent structure and is coordinated by octahedron‐like anions [MF 6 ] − (M=Sb, Ir). Experimentally obtained cell parameters, bond lengths, and angles are confirmed by solid‐state DFT calculations, which differ from the experimental values by less than 2 %. Relativistic effects on the structure of the tribromonium(1+) cation are studied computationally and found to be small. For the heaviest analogues containing At and Ts, however, pronounced relativistic effects are found, which lead to a linear structure of the polyhalogen cation.
Materialart:
Online-Ressource
ISSN:
0947-6539
,
1521-3765
DOI:
10.1002/chem.201900442
Sprache:
Englisch
Verlag:
Wiley
Publikationsdatum:
2019
ZDB Id:
1478547-X
