| Autor: |
Vikulova, E. S., Sukhikh, A. S., Mikhaylova, M. A., Nazarova, A. A., Zherikova, K. V., Morozova, N. B. |
| Předmět: |
|
| Zdroj: |
Journal of Structural Chemistry; Aug2022, Vol. 63 Issue 8, p1323-1332, 10p |
| Abstrakt: |
Structures of volatile mixed-ligand complexes of magnesium with N,N,N′,N′-tetramethylethylenediamine (tmeda) and fluorinated β-diketonate ligands L = CF3C(O)CHC(O)R– (R = t-Bu (ptac) and Ph (btfac)) are determined. Complex [Mg(tmeda)(btfac)2] is obtained for the first time and is characterized by elemental analysis and IR spectrometry. Both [Mg(tmeda)(L)2] compounds are molecular complexes, and the symmetry of their crystals is increased due to the presence of an aromatic substituent: space groups Pccn (L = btfac) and P21/n (L = ptac). The magnesium atom occurs in a distorted octahedral environment of three chelate ligands. The bond lengths and chelate angles in both complexes are similar: d(Mg–N) = 2.226(2)-2.245(1) Å, d(Mg–O) = 2.030(2)-2.043(2) Å, θ(N–Mg–N) = 80.97(7)-81.68(10)°, θ(O–Mg–O) = 85.61(9)-85.75(7)°. The Hirshfeld surfaces (CrystalExplorer, Tonto) show a presence of weak intermolecular contacts C–HPh...F in the [Mg(tmeda)(btfac)2] packing (4 contacts per molecule). The qualitative order of volatility decrease for the complexes and their hexafluoroacetylacetonate analogue [Mg(tmeda)(hfac)2] (TGA and vacuum sublimation data) corresponds to the estimated energy increase of [Mg(tmeda)(L)2] crystal lattices (CrystalExplorer, B3LYP/6-31G(d,p)): L = hfac ~ ptac >> btfac. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
|
