Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Structure and thermal properties of volatile mixed-ligand magnesium complexes: Effect of tert-buryl and phenyl substitutes in a fluorinated β-diketonate. / Vikulova, E. S.; Sukhikh, A. S.; Mikhaylova, M. A. и др.
в: Journal of Structural Chemistry, Том 63, № 8, 08.2022, стр. 1323-1332.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Structure and thermal properties of volatile mixed-ligand magnesium complexes: Effect of tert-buryl and phenyl substitutes in a fluorinated β-diketonate
AU - Vikulova, E. S.
AU - Sukhikh, A. S.
AU - Mikhaylova, M. A.
AU - Nazarova, A. A.
AU - Zherikova, K. V.
AU - Morozova, N. B.
N1 - Funding Information: The work was funded by the Russian Science Foundation (project 21-73-00252). Publisher Copyright: © 2022, Pleiades Publishing, Ltd.
PY - 2022/8
Y1 - 2022/8
N2 - 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.
AB - 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.
KW - diamine
KW - magnesium
KW - thermal analysis
KW - volatile precursor
KW - XRD
KW - β-diketonate
UR - http://www.scopus.com/inward/record.url?scp=85137500007&partnerID=8YFLogxK
UR - https://www.mendeley.com/catalogue/2410b1e9-7667-38d5-b21a-6306f311cce7/
U2 - 10.1134/S0022476622080133
DO - 10.1134/S0022476622080133
M3 - Article
AN - SCOPUS:85137500007
VL - 63
SP - 1323
EP - 1332
JO - Journal of Structural Chemistry
JF - Journal of Structural Chemistry
SN - 0022-4766
IS - 8
ER -
ID: 37140905