Gas phase structures of potassium tetrakis(hexafluoroacetyl-ace-to-nato)-lanthanate(III) complexes [KLn(C5HF6O2)4] (Ln = La, Gd, Lu).

Gas phase structures of potassium tetrakis(hexafluoroacetyl-ace-to-nato)-lanthanate(III) complexes [KLn(C5HF6O2)4] (Ln = La, Gd, Lu).
Chemistry. 2020 Oct 22;:
Authors: Mitzel NW, Girichev GV, Giricheva NI, Khochenkov AE, Sliznev V, Belova N
Abstract
The molecular structures of potassium tetrakis(hexafluoro-acetylacetonato)lanthanate(III) complexes [KLn(hfa) 4 ] (Ln = La, Gd, Lu; hfa = C 5 HF 6 O 2 ,) were studied by synchronous gas-phase elec-tron diffraction / mass spectrometry (GED/MS) supported by quan-tum-che-mical (DFT/PBE0) calculations. The compounds subli-mate con-gru-ently and the vapors contain single molecular species - the hete-ro--binuclear complex [KLn(hfa) 4 ]. All molecules are of C 1 sym-me-try with the lanthanide atom in the center of a coordination poly-hedron LnO 8 , while the potassium atom is coordinated by three ligands under formation of three K-O and three K-F bonds. Topo-logical analysis of the electron density distributions confirms the existence of ionic-type K-O and K-F bonding. The presence of the potassium ion distorts the coordination polyhedron LnO 8 and takes influence on the structure of the ligands. The structures of the free [KLn(hfa) 4 ] molecules are com-pared with those of the related compounds [KDy(hfa) 4 ] and [KEr(hfa) 4 ] in their crystalline state. The complex nature of chemical bonding is dis-cussed on the basis of electron density topology analyses.
PMID: 33090541 [PubMed - as su...

Source: Chemistry - October 22, 2020 Category: Chemistry Authors: Mitzel NW, Girichev GV, Giricheva NI, Khochenkov AE, Sliznev V, Belova N Tags: Chemistry Source Type: research