STRUCTURE AND THERMAL PROPERTIES OF VOLATILE MIXED-LIGAND MAGNESIUM COMPLEXES: EFFECT OF TERT-BUTYL AND PHENYL SUBSTITUTES IN A FLUORINATED β-DIKETONATE

STRUCTURE AND THERMAL PROPERTIES OF VOLATILE MIXED-LIGAND MAGNESIUM COMPLEXES: EFFECT OF TERT-BUTYL AND PHENYL SUBSTITUTES IN A FLUORINATED β-DIKETONATE Full article

Journal

Journal of Structural Chemistry
ISSN: 1573-8779 , E-ISSN: 0022-4766

Output data

Year: 2022, Volume: 63, Pages: 1323–1332 Pages count : DOI: 10.1134/S0022476622080133

Authors

Vikulova E.S. ¹ , Sukhikh A.S. ^1,2 , Mikhaylova M.A. ^1,2 , Nazarova A.A. ¹ , Zherikova K.V. ¹ , Morozova N.B. ¹

Affiliations

1	Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia
2	Novosibirsk State University, Novosibirsk, Russia

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.

Vikulova E.S. , Sukhikh A.S. , Mikhaylova M.A. , Nazarova A.A. , Zherikova K.V. , Morozova N.B.
STRUCTURE AND THERMAL PROPERTIES OF VOLATILE MIXED-LIGAND MAGNESIUM COMPLEXES: EFFECT OF TERT-BUTYL AND PHENYL SUBSTITUTES IN A FLUORINATED β-DIKETONATE
Journal of Structural Chemistry. 2022. V.63. P.1323–1332. DOI: 10.1134/S0022476622080133 Scopus Scopus OpenAlex

Викулова Е.С. , Сухих А.С. , Михайлова М.А. , Назарова А.А. , Жерикова К.В. , Морозова Н.Б.
Строение и термические свойства летучих разнолигандных комплексов магния: эффект трет-бутильного и фенильного заместителя во фторированном β-дикетонате
Журнал структурной химии. 2022. Т.63. №8. 97037 . DOI: 10.26902/JSC_id97037 OpenAlex

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