Сибирский федеральный университет

Тип публикации: статья из журнала

Год издания: 2021

Идентификатор DOI: 10.1016/j.jfluchem.2021.109843

Ключевые слова: crystal structure, dft calculations, hirshfeld surface analysis, ir spectroscopy, tg-dta, trimethylplatinum(iv) β-diketonates

Аннотация: 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. © 2021 Elsevier B.V.

Журнал: Journal of Fluorine Chemistry

Выпуск журнала: Vol. 249

Номера страниц: 109843

ISSN журнала: 00221139

Издатель: Elsevier B.V.

• Dorovskikh Svetlana (SB RAS, Nikolaev Inst Inorgan Chem, Lavrentiev Av 3, Novosibirsk 630090, Russia)
• Klyamer Darya D. (SB RAS, Nikolaev Inst Inorgan Chem, Lavrentiev Av 3, Novosibirsk 630090, Russia)
• Mirzaeva Irina (SB RAS, Nikolaev Inst Inorgan Chem, Lavrentiev Av 3, Novosibirsk 630090, Russia)
• Pyrayzev Dmitry A. (SB RAS, Nikolaev Inst Inorgan Chem, Lavrentiev Av 3, Novosibirsk 630090, Russia; Novosibirsk State Univ, Novosibirsk 630090, Russia)
• Pishur Denis P. (SB RAS, Nikolaev Inst Inorgan Chem, Lavrentiev Av 3, Novosibirsk 630090, Russia)
• Basova Tamara (SB RAS, Nikolaev Inst Inorgan Chem, Lavrentiev Av 3, Novosibirsk 630090, Russia)
• Morozova Natalia B. (SB RAS, Nikolaev Inst Inorgan Chem, Lavrentiev Av 3, Novosibirsk 630090, Russia)
• Morozova Natalia B. (SB RAS, Nikolaev Inst Inorgan Chem, Lavrentiev Av 3, Novosibirsk 630090, Russia)

• Scopus
• Web of Science Core Collection
• Ядро РИНЦ (eLIBRARY.RU)