Materials Map

Discover the materials research landscape. Find experts, partners, networks.

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The Materials Map is an open tool for improving networking and interdisciplinary exchange within materials research. It enables cross-database search for cooperation and network partners and discovering of the research landscape.

The dashboard provides detailed information about the selected scientist, e.g. publications. The dashboard can be filtered and shows the relationship to co-authors in different diagrams. In addition, a link is provided to find contact information.

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Materials Map under construction

The Materials Map is still under development. In its current state, it is only based on one single data source and, thus, incomplete and contains duplicates. We are working on incorporating new open data sources like ORCID to improve the quality and the timeliness of our data. We will update Materials Map as soon as possible and kindly ask for your patience.

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in Cooperation with on an Cooperation-Score of 37%

Topics

Publications (18/18 displayed)

  • 2024[Br4F21]− - a unique molecular tetrahedral interhalogen ion containing a μ4-bridging fluorine atom surrounded by BrF5 molecules3citations
  • 2022Photochemistry with ClF3 – An Access to [ClOF2]+ Salts2citations
  • 2022Bromine Pentafluoride BrF5, the Formation of [BrF6]− Salts, and the Stereochemical (In)activity of the Bromine Lone Pairs8citations
  • 2021DFT-Guided Crystal Structure Redetermination and Lattice Dynamics of the Intermetallic Actinoid Compound UIr3citations
  • 2021Barium bis[tetrafluoridobromate(III)]1citations
  • 2021Coordination of trivalent lanthanum and cerium, and tetravalent cerium and actinides (An = Th(iv), U(iv), Np(iv)) by a 4-phosphoryl 1H-pyrazol-5-olate ligand in solution and the solid state18citations
  • 2021Photochemistry with Chlorine Trifluoride : Syntheses and Characterization of Difluorooxychloronium(V) Hexafluorido(non)metallates(V), [ClOF2][MF6] (M=V, Nb, Ta, Ru, Os, Ir, P, Sb)5citations
  • 2020Redetermination of the crystal structure of caesium tetrafluoridobromate(III) from single-crystal X-ray diffraction data2citations
  • 2020Reactions in Anhydrous Liquid Ammonia : Syntheses and Crystal Structures of [M(NH3)8]I2 (M = Eu, Yb) with Bicapped Trigonal-Prismatic Octaammine Lanthanoid(II) Cationscitations
  • 2019Evolutionary Algorithm-Based Crystal Structure Prediction for Copper (I) Fluoride7citations
  • 2019Rubidium tetrafluoridobromate(III): redetermination of the crystal structure from single-crystal X-ray diffraction data2citations
  • 2019Crystal Structures of α- And β-Nitrogen Trifluoride5citations
  • 2019Half-metallicity in uranium intermetallics4citations
  • 2019Synthesis and Characterization of [Br 3 ][MF 6 ] (M=Sb, Ir), as well as Quantum Chemical Study of [Br 3 ] + 12citations
  • 2019Reactions of KBrF4 with platinum metals9citations
  • 2018Redetermination of the crystal structure of K[BrF4] from single-crystal X-ray diffraction data7citations
  • 2012Uranyl Halides from Liquid Ammonia15citations
  • 2011The Complex Amide K-2[Zr(NH2)(6)]4citations

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Chart of shared publication
Karttunen, Antti J.
13 / 40 shared
Graubner, Tim
3 / 3 shared
Möbs, Martin
2 / 2 shared
Scheibe, Benjamin
2 / 2 shared
Eklund, Kim
1 / 4 shared
Ivlev, Sergei I.
4 / 4 shared
Conrad, Matthias
2 / 2 shared
Sachs, Malte
2 / 2 shared
Etter, Martin
1 / 20 shared
Schnaars, Kathleen
1 / 1 shared
Wenzel, Marco
1 / 2 shared
Schwedtmann, Kai
1 / 4 shared
Hennersdorf, Felix
1 / 3 shared
Weigand, Jan J.
1 / 6 shared
Zhang, Jianfeng
1 / 1 shared
März, Juliane
1 / 1 shared
Stumpf, Thorsten
1 / 4 shared
Rossberg, André
1 / 3 shared
Kaden, Peter
1 / 2 shared
Weigend, Florian
1 / 1 shared
Rudel, Stefan S.
1 / 1 shared
Kuklin, Mikhail
1 / 1 shared
Usvyat, Denis
1 / 2 shared
Maschio, Lorenzo
1 / 8 shared
Hoelzel, Markus
1 / 14 shared
Berger, Robert
1 / 2 shared
Gaul, Konstantin
1 / 2 shared
Chen, Mengyi
1 / 1 shared
Malin, Artem V.
1 / 1 shared
Ostvald, Roman V.
1 / 1 shared
Woidy, Patrick
1 / 1 shared
Baer, Sebastian A.
1 / 1 shared
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2024
2022
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Co-Authors (by relevance)

  • Karttunen, Antti J.
  • Graubner, Tim
  • Möbs, Martin
  • Scheibe, Benjamin
  • Eklund, Kim
  • Ivlev, Sergei I.
  • Conrad, Matthias
  • Sachs, Malte
  • Etter, Martin
  • Schnaars, Kathleen
  • Wenzel, Marco
  • Schwedtmann, Kai
  • Hennersdorf, Felix
  • Weigand, Jan J.
  • Zhang, Jianfeng
  • März, Juliane
  • Stumpf, Thorsten
  • Rossberg, André
  • Kaden, Peter
  • Weigend, Florian
  • Rudel, Stefan S.
  • Kuklin, Mikhail
  • Usvyat, Denis
  • Maschio, Lorenzo
  • Hoelzel, Markus
  • Berger, Robert
  • Gaul, Konstantin
  • Chen, Mengyi
  • Malin, Artem V.
  • Ostvald, Roman V.
  • Woidy, Patrick
  • Baer, Sebastian A.
OrganizationsLocationPeople

article

Bromine Pentafluoride BrF5, the Formation of [BrF6]− Salts, and the Stereochemical (In)activity of the Bromine Lone Pairs

  • Karttunen, Antti J.
  • Graubner, Tim
  • Kraus, Florian
  • Möbs, Martin
  • Eklund, Kim
Abstract

We thank the precision mechanics workshop of our department for making the photoreactor and Solvay for the kind donation of fluorine. Furthermore, we would like to thank Dr. Magnus Buchner and the co-workers of our NMR service department for performing the NMR experiments. We thank Drs. Sergei Ivlev and Matthias Conrad for helpful discussions. A.J.K. and K.E. thank CSC – the Finnish IT Center for Science for computational resources. Open Access funding enabled and organized by Projekt DEAL. ; BrF5 can be prepared by treating BrF3 with fluorine under UV light in the region of 300 to 400 nm at room temperature. It was analyzed by UV-Vis, NMR, IR and Raman spectroscopy. Its crystal structure was redetermined by X-ray diffraction, and its space group was corrected to Pnma. Quantum-chemical calculations were performed for the band assignment of the vibrational spectra. A monoclinic polymorph of BrF5 was quantum chemically predicted and then observed as its low-temperature modification in space group P21/c by single crystal X-ray diffraction. BrF5 reacts with the alkali metal fluorides AF (A=K, Rb) to form alkali metal hexafluoridobromates(V), A[BrF6] the crystal structures of which have been determined. Both compounds crystallize in the K[AsF6] structure type (R (Formula presented.), no. 148, hR24). For the species [BrF6]+, BrF5, [BrF6]−, and [IF6]−, the chemical bonds and lone pairs on the heavy atoms were investigated by means of intrinsic bond orbital analysis. ; Peer reviewed

Topics
  • compound
  • single crystal X-ray diffraction
  • single crystal
  • experiment
  • Nuclear Magnetic Resonance spectroscopy
  • Raman spectroscopy
  • space group
  • Alkali metal