The hexacyanotitanate ion: Synthesis and crystal structure of [NEt 4] 3[Ti(III)(CN) 6]·4MeCN

William R. Entley, Christopher R. Treadway, Scott R. Wilson, Gregory S. Girolami

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The hexacyanotitanate salt, [Et 4N] 3[Ti(CN) 6]·4MeCN, has been prepared by addition of tetraethylammonium cyanide to the titanium(III) triflate salt Ti(O 3SCF 3) 3(MeCN) 3. The orange crystalline product has been characterized by X-ray diffraction, and the d 1 anion is only slightly distorted from ideal O(h) symmetry. The anion resides on a center of symmetry and is characterized by the following parameters: Ti-C = 2.195(2), 2.197(3), and 2.213(3) Å; C-N (av) = 1.141(4) Å; C-Ti-C (cis) = 88.01(9), 88.02(9), 89.02(9), and 89.78(9)°; C-Ti-C (trans) = 180°. In addition to the crystallographic study, details of the IR (ν(CN) = 2071 cm -1), EPR, and UV-vis spectra (Δ(o) = 22800 cm -1) are given. Crystal data for [Et 4N] 3[Ti(CN) 6]·4MeCN are as follows: monoclinic, space group I2/a, a = 18.171(6) Å, b = 12.200(4) Å, c = 20.989(5) Å, β = 91.17(2)°, V = 4652(2) Å 3, Z = 4, wR 2 = 0.2054 for 3831 data, 27 restraints, and 318 parameters.

Original languageEnglish (US)
Pages (from-to)6251-6258
Number of pages8
JournalJournal of the American Chemical Society
Issue number27
StatePublished - 1997

ASJC Scopus subject areas

  • Catalysis
  • General Chemistry
  • Biochemistry
  • Colloid and Surface Chemistry


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