Effect of fluorosubstitution in the ligand on structure, spectral and thermal characteristics of trimethylplatinum β-diketonate complexes. / Dorovskikh, Svetlana I.; Klyamer, Darya D.; Mirzaeva, Irina V. et al.
In: Journal of Fluorine Chemistry, Vol. 249, 109843, 09.2021.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Effect of fluorosubstitution in the ligand on structure, spectral and thermal characteristics of trimethylplatinum β-diketonate complexes
AU - Dorovskikh, Svetlana I.
AU - Klyamer, Darya D.
AU - Mirzaeva, Irina V.
AU - Pyrayzev, Dmitry A.
AU - Pishur, Denis P.
AU - Krasnov, Pavel O.
AU - Basova, Tamara V.
AU - Morozova, Natalia B.
N1 - Publisher Copyright: © 2021 Elsevier B.V.
PY - 2021/9
Y1 - 2021/9
N2 - This work is aimed at studying the structures, IR spectra and thermal properties of the series of trimethylplatinum complexes (Me3Pt(L)Py) with various combinations of β-diketonate (CβCOCγHCOCβ’) substituents: (1) Cβ,Cβ’=Me, acac - pentan-2,4-dionato; (2) Cβ=Me, Cβ’=CF3, tfac - 1,1,1-trifluoro-2,4-pentanedionato; (3) Cβ,Cβ’=CF3, hfac - 1,1,1,5,5,5-hexafluoro-2,4-pentanedionato; (4) Cβ=tBu, Cβ’=CF3, ptac - 1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedione; (5) Cβ=Me, Cβ’=C2F5, 5Fac - 1,1,1,2,2-pentofluoro-3,5-hexandionato; (6) Cβ=Me, Cβ’=C3F7, 7Fac - 1,1,1,2,2,3,3-heptafluoro-4,6-heptandionato; Py - pyridine. The following crystallographic parameters, namely monoclinic P21/n, Z = 4, a = 11.8927(4) Å, b = 8.8446(4) Å, c = 16.9802(6) Å, β = 107.2490(10)°, V = 1705.75(11) Å3 and monoclinic P21/c, Z = 8, a = 9.7297(14) Å, b = 35.709(5) Å, c = 10.6785(11) Å, β = 91.035(2)°,V = 3709.5(8) Å3 have been determined for the crystals of 5 and 6, respectively. Hirshfeld surface analysis was used as a tool for visualization of intermolecular contacts and packaging features in the structures of Me3Pt(L)Py molecules depending on the combination of substituents in L. The effect of combination of β-diketonate substituents on the molecular structure and vibrational spectra of Me3Pt(L)Py derivatives was also studied. The density functional theory (DFT) calculations were used for the assignment of bands in their IR spectra. The thermal behavior of Me3Pt(L)Py complexes in the condensed phase were studied using TG, DSC methods. The complex 3 was tested as a precursor in MOCVD experiments.
AB - This work is aimed at studying the structures, IR spectra and thermal properties of the series of trimethylplatinum complexes (Me3Pt(L)Py) with various combinations of β-diketonate (CβCOCγHCOCβ’) substituents: (1) Cβ,Cβ’=Me, acac - pentan-2,4-dionato; (2) Cβ=Me, Cβ’=CF3, tfac - 1,1,1-trifluoro-2,4-pentanedionato; (3) Cβ,Cβ’=CF3, hfac - 1,1,1,5,5,5-hexafluoro-2,4-pentanedionato; (4) Cβ=tBu, Cβ’=CF3, ptac - 1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedione; (5) Cβ=Me, Cβ’=C2F5, 5Fac - 1,1,1,2,2-pentofluoro-3,5-hexandionato; (6) Cβ=Me, Cβ’=C3F7, 7Fac - 1,1,1,2,2,3,3-heptafluoro-4,6-heptandionato; Py - pyridine. The following crystallographic parameters, namely monoclinic P21/n, Z = 4, a = 11.8927(4) Å, b = 8.8446(4) Å, c = 16.9802(6) Å, β = 107.2490(10)°, V = 1705.75(11) Å3 and monoclinic P21/c, Z = 8, a = 9.7297(14) Å, b = 35.709(5) Å, c = 10.6785(11) Å, β = 91.035(2)°,V = 3709.5(8) Å3 have been determined for the crystals of 5 and 6, respectively. Hirshfeld surface analysis was used as a tool for visualization of intermolecular contacts and packaging features in the structures of Me3Pt(L)Py molecules depending on the combination of substituents in L. The effect of combination of β-diketonate substituents on the molecular structure and vibrational spectra of Me3Pt(L)Py derivatives was also studied. The density functional theory (DFT) calculations were used for the assignment of bands in their IR spectra. The thermal behavior of Me3Pt(L)Py complexes in the condensed phase were studied using TG, DSC methods. The complex 3 was tested as a precursor in MOCVD experiments.
KW - Crystal structure
KW - DFT calculations
KW - Hirshfeld surface analysis
KW - IR spectroscopy
KW - TG-DTA
KW - trimethylplatinum(IV) β-diketonates
UR - http://www.scopus.com/inward/record.url?scp=85111869425&partnerID=8YFLogxK
U2 - 10.1016/j.jfluchem.2021.109843
DO - 10.1016/j.jfluchem.2021.109843
M3 - Article
AN - SCOPUS:85111869425
VL - 249
JO - Journal of Fluorine Chemistry
JF - Journal of Fluorine Chemistry
SN - 0022-1139
M1 - 109843
ER -
ID: 29279854