Universität zu Köln

Eppers, Katrin ORCID: 0009-0008-7399-1542, Sander, Celina, van Gerven, D. ORCID: 0000-0001-9712-551X and Wickleder, Mathias S. ORCID: 0000-0002-8864-4227 (2026). Brominated Methanesulfonates: Characterization of K[Br3CSO3] ⋅ H2O, K2[Br2C(SO3)2] ⋅ H2O and K3[BrC(SO3)3] ⋅ H2O. ChemistryOpen, 15 (1). pp. 1-7. Wiley. ISSN 2191-1363

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Abstract

[Artikel-Nr.: e202500455] Bromination of phenyl methanesulfonate, C6H5OSO2CH3, with KOBr followed by hydrolytic cleavage of the phenyl ester leads to the tribromomethanesulfonate (“tribrate”) K[Br3CSO3] ⋅ H2O, which crystallizes in a hitherto unknown triclinic modification (P1―, a = 662.87(4) pm, b = 1090.98(7) pm, c = 1273.98(8) pm, α = 106.079(2)°, β = 93.438(2)°, γ = 90.121(2)°). In contrast to the synthesis of the tribrate, in which an aromatic ring must be present at the SO3 group for a successful bromination, the synthesis of K2[Br2C(SO3)2] ⋅ H2O (monoclinic, P21/c, Z = 4, a = 717.17(3) pm, b = 710.78(3) pm, c = 2092.50(9) pm, β = 94.732(2)°) and K3[BrC(SO3)3] ⋅ H2O (tetragonal, P43, Z = 4, a = 713.6(1) pm, c = 2324.50(7) pm) using KOBr do not need the phenylesters as starting materials. Comparing the C─S bond lengths of the different anions with each other, a trend emerges in which the C─S bond length increases with increasing number of SO3 groups (decreasing number of Br atoms). Furthermore, an increase in thermal stability by ≈50 °C per additional SO3 group can be observed. The com-pounds are characterized by X-ray diffraction, vibrational spectroscopy, and thermal analyses.

Item Type:	Article
Creators:	Creators Email ORCID ORCID Put Code Eppers, Katrin UNSPECIFIED https://orcid.org/0009-0008-7399-1542 UNSPECIFIED Sander, Celina UNSPECIFIED UNSPECIFIED UNSPECIFIED van Gerven, D. UNSPECIFIED https://orcid.org/0000-0001-9712-551X UNSPECIFIED Wickleder, Mathias S. UNSPECIFIED https://orcid.org/0000-0002-8864-4227 UNSPECIFIED
URN:	urn:nbn:de:hbz:38-802186
Identification Number:	10.1002/open.202500455
Journal or Publication Title:	ChemistryOpen
Volume:	15
Number:	1
Page Range:	pp. 1-7
Date:	24 January 2026
Publisher:	Wiley
ISSN:	2191-1363
Language:	English
Faculty:	Faculty of Mathematics and Natural Sciences
Divisions:	Faculty of Mathematics and Natural Sciences > Department of Chemistry > Institute of Inorganic Chemistry
Subjects:	Chemistry and allied sciences
['eprint_fieldname_oa_funders' not defined]:	Publikationsfonds UzK
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/80218