Synthese, Kristallstruktur und FTIR‐Spektren der Oxoniumfluorometallate DienH₂(H₃O)[AlF₆] und DienH₂(H₃O)[FeF₆]

Abstract

Einkristalle der Verbindungen DienH2(H3O) · [AlF6] und DienH2(H3O)[FeF6] (Dien = Diethylendiamin bzw. Piperazin) wurden aus wäßriger HF‐Lösung erhalten. Die Verbindungen sind isotyp und kristallisieren monoklin in der Raumgruppe P21/c, Z = 8 mit den Gitterkonstanten a = 1333,7(3), b = 1261,8(3), c = 1234,5(2) pm, β = 115,79(3)° (Aluminiumverbindung) und a = 1354,0(3), b = 1267,5(3), c = 1255,9(3) pm, β = 115,48(3)° (Eisenverbindung). Die Struktur besteht aus isolierten [MF6]3−‐Anionen sowie H3O+‐ und DienH22+‐Kationen. über zahlreiche sehr starke OH … F sowie NH … F‐Brücken werden die [MF6]3−‐Oktaeder zu einem dreidimensionalen Netzwerk verknüpft. Diese H‐Brücken‐Vernüpfung spiegelt sich auch in den FTIR‐Spektren wider.

Evidence of New Fluorinated Coordination Compounds in the Composition Space Diagram of FeF3/ZnF2–Hamtetraz-HFaq System

“…The Fe III -F distances are in good agreement with the distances already found in numerous fluorides that contain isolated Fe III F 6 2-anions [41][42][43][44][45][46][47][48][49]. The FeF 6 polyhedra are weakly hydrogen bonded to organic cations and water molecules by N-H···A (A= F,O) (2.65 to 3.24 Å) and Ow-H···F (2.76 to 2.87 Å) bonds (Figure 5).…”

DFT calculations of 57Fe Mössbauer isomer shifts and quadrupole splittings for iron complexes in polar dielectric media: Applications to methane monooxygenase and ribonucleotide reductase

“…Nineteen complexes in our new Fe 2.5+,3+,3.5+,4+ training set, the original references,18, 19, 38–56 and their experimental isomer shifts are given in Table 2, which include all Fe 2.5+,3+,3.5+ complexes described in Table 1 of ref 6b,. plus three new high‐spin Fe 4+ complexes, which are Fe(OEC)Cl,55 Fe(OEC)C 6 H 5 ,55 and FeCl(η4‐MAC * ) − 56.…”

Crystal structure of bis(propane-1,3-diaminium) hexafluoridoaluminate diaquatetrafluoridoaluminate tetrahydrate

“…In the Cambridge Structural Database (Version 5.35; Groom & Allen, 2014) numerous Class I fluoridoaluminates with isolated (poly)anions or extended 1D inorganic chains, 2D inorganic layers or 3D networks are mentioned. Eight compounds with AlF 6 3À anions exist (Grottel et al, 1992;Rother et al, 1996Rother et al, , 1998Touret et al, 2001;Adil et al, 2009;Bentrup et al, 1996) and seven compounds containing the AlF 5 (H 2 O) 2À anion (Cadiau et al, 2008;Petrosyants et al, 1997;Schrö der et al, 1993). However, to our knowledge, no fluoridoaluminate hybrid compounds containing both the A portion of the crystal structure of the title compound showing the atom labelling and 50% probability displacement ellipsoids.…”