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Crystal structure of CF3I(Cl)F.

R Minkwitz¹, M Berkei

¹Anorganische Chemie, Fachbereich Chemie der Universität Dortmund, 44221 Dortmund, Germany.

Inorganic Chemistry

|February 24, 2001

Summary

The study identifies trifluoromethyl iodine chlorofluoride (CF3I(Cl)F) as a unique compound, noting its instability in solution and its orthorhombic crystal structure. Further research into its properties is warranted.

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Area of Science:

Inorganic Chemistry
Crystallography
Fluorine Chemistry

Background:

Trifluoromethyl iodine dihalides represent a unique class of compounds.
Existing examples include CF3IF2 and CF3ICl2.

Purpose of the Study:

To characterize the novel compound trifluoromethyl iodine chlorofluoride (CF3I(Cl)F).
To investigate the stability and structural properties of CF3I(Cl)F.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the crystal structure.
Crystallization in the orthorhombic space group Cmca.

Main Results:

CF3I(Cl)F was identified as the sole known example of its kind beyond CF3IF2 and CF3ICl2.
The compound exhibits instability in solution, decomposing via symmetrization even at low temperatures.
Detailed crystallographic data were obtained: a = 6.898(1) Å, b = 7.310(1) Å, c = 20.127(1) Å, with eight formula units per cell.

Conclusions:

CF3I(Cl)F is a novel and unstable (trifluoromethyl)iodine dihalide.
Its structural characterization provides insight into the chemistry of halogenated iodine compounds.
The observed decomposition pathway highlights the reactivity of this compound class.

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