Crystal structures of two polymorphic modifications and thermodynamic parameters of vaporization of copper бис-heptafluoromethyloctandionate

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Abstract

By evaporation of the solvent from the solutions, crystals of copper bis-heptafluorodimethyloctandionate (Cu (fod)2) were grown. Crystals of monoclinic syngony (I) and from acetonitrile of monoclinic (I) and triclinic (II) syngony are obtained from toluene. Crystallographic data: (I) P21/c a = 13.1863 (6), b = 9.8118 (4), c = 10.6997 (6), β = 113.633 (2) °; (II) Р-1 a = 10.7941(12), b = 11.4759(14), c = 12.5263(13), α = 115.350(4), β = 102.957(4), γ = 100.999(4)°. Packages I and II have the same structure of the molecule. Crystal structures I and II are molecular and consist of discrete molecules Cu (fod)2. For liquid and crystalline (phase I) Cu (fod)2, temperature relationships of saturated vapor pressure in the range 314-393 K were obtained by flow method. Thermal stability of the compound is determined, thermodynamic parameters of sublimation and evaporation are established.

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P. A. Stabnikov

A.V. Nikolaev Institute of Inorganic Chemistry, SB RAS

Author for correspondence.
Email: stabnik@niic.nsc.ru
Russian Federation, Novosibirsk, 630090

M. A. Bespyatov

A.V. Nikolaev Institute of Inorganic Chemistry, SB RAS

Email: stabnik@niic.nsc.ru
Russian Federation, Novosibirsk, 630090

I. V. Korolkov

A.V. Nikolaev Institute of Inorganic Chemistry, SB RAS

Email: stabnik@niic.nsc.ru
Russian Federation, Novosibirsk, 630090

A. S. Sukhikh

A.V. Nikolaev Institute of Inorganic Chemistry, SB RAS

Email: stabnik@niic.nsc.ru
Russian Federation, Novosibirsk, 630090

P. E. Plyusnin

A.V. Nikolaev Institute of Inorganic Chemistry, SB RAS

Email: stabnik@niic.nsc.ru
Russian Federation, Novosibirsk, 630090

S. V. Trubin

A.V. Nikolaev Institute of Inorganic Chemistry, SB RAS

Email: stabnik@niic.nsc.ru
Russian Federation, Novosibirsk, 630090

A. V. Sartakova

A.V. Nikolaev Institute of Inorganic Chemistry, SB RAS; Novosibirsk State University

Email: stabnik@niic.nsc.ru
Russian Federation, Novosibirsk, 630090; Novosibirsk, 630090

S. V. Sysoev

A.V. Nikolaev Institute of Inorganic Chemistry, SB RAS

Email: stabnik@niic.nsc.ru
Russian Federation, Novosibirsk, 630090

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Supplementary files

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3. Fig. 1. Molecular structure (a, b) and packing diagram (c, d) for the triclinic modification of Cu(fod)2 (II).

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4. Fig. 2. Molecular structure (a) and packing diagram (b) for the monoclinic modification Cu(fod)2 (I).

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5. Fig. 3. Hirschfeld surfaces for Cu(FOD)2 molecules of triclinic (a, b) and monoclinic (c) modifications colored using the dnorm (normalized contact distance) parameter in the range -0.1...-1.4.

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6. Fig. 4. DTA/TG for Cu(FOD)2 phase I.

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7. Fig. 5. Temperature dependences of saturated vapor pressure for 1 - evaporation, 2 - sublimation of modification I (flow method), 3 - data [20] for sublimation (effusion method). Solid squares - pressure calculation on the basis of data on the amount of substance condensed in the cold zone, empty squares - on the basis of data on the amount of substance evaporated in the source.

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8. Supplementary
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