title: A New Method for Preparation and Crystal Structure of (Trifluoromethyl)iodine Dichloride.
abstract: (Trifluoromethyl)iodine dichloride (CF(3)ICl(2)) is synthesized by the reaction of (trifluoromethyl)iodine chloride fluoride (CF(3)I(Cl)F) with trimethylchlorosilane ((CH(3))(3)SiCl) at -40 degrees C. By using this route of preparation, in which CF(3)I(Cl)F undergoes a chlorine-fluorine exchange, CF(3)ICl(2) can be obtained in high purity and yield. CF(3)ICl(2) crystallizes in the orthorhombic space group Cmca with a = 6.990(1) Å, b = 7.985(1) Å, c = 21.177(1) Å, and eight formula units per unit cell. The final R indices [I > 2sigma(I)] are R(1) = 0.0341 and wR(2) = 0.0631. CF(3)ICl(2) is, in contrast to iodine trichloride (ICl(3)), monomeric, and its molecular structure is T-shaped with the CF(3) group in the equatorial position. The Raman, IR, and NMR spectra are also described.
authors.affiliation: Anorganische Chemie, Fachbereich Chemie der Universität Dortmund, 44221 Dortmund, Germany.
authors.forename: Rolf
authors.initials: R
authors.lastname: Minkwitz
authors.forename: Michael
authors.initials: M
authors.lastname: Berkei