Synthesis and characterization of novel iodine(III) compounds;: Crystal structures of methoxy(trifluoromethyl)iodine(III) chloride [CF3I(Cl)OCH3] and dimethoxy(trifluoromethyl)iodine(III) [CF3I(OCH3)2]

The reactions of CF3I(Cl)F and CF3IF2 with (CH3)(3)SiOCH3 lead to the novel iodine(III) compounds CF3I(Cl)OCH3 and CF3I(OCH3)(2), respectively. The crystal structure of CF3I(Cl)OCH3 confirms that it is a ternary, trifluoromethyl substituted iodine(III) derivative. CF3I(Cl)OCH3 crystallizes in the triclinic space group P (1) over bar, with four formula units per unit cell with the dimensions a=8.164(1), b=8.802(1), c=10.237(1) Angstrom and angles alpha =97.10(1)degrees, beta =91.41(1)degrees, gamma =115.00(1)degrees CF3I(OCH3)(2) crystallizes in the monoclinic space group P2(1)/n with four formula units per unit cell with a=6.295(1), b=15.607(1), c=7.736(1) Angstrom, and beta =111.44(1)degrees. Both molecules have been additionally characterized by Raman, IR, and NMR spectroscopy and the experimental results are compared with quantum-mechanically calculated parameters.