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Synthesis and structure of The Novel Layered Phase CsTi 2 Cl 7
Author(s) -
Zhang Jie,
Corbett John D.
Publication year - 1990
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.19905800105
Subject(s) - chlorine atom , titanium , crystallography , chlorine , phase (matter) , crystal structure , diffraction , atomic orbital , condensation , type (biology) , materials science , chemistry , physics , metallurgy , optics , thermodynamics , medicinal chemistry , geology , organic chemistry , quantum mechanics , electron , paleontology
Reactions in the CsClTiCl 3 Ti system afford CsTiCl 3 (CsNiCl 3 type, a = 7.3086(7) Å, c = 6.0670(8) Å) and the new phase CsTi 2 Cl 7 , the structure of which was determined by single crystal X‐ray diffraction means (P2/c, Z = 2, a = 7.0076(4) Å, b = 6.2256(4) Å, c = 12.000(2) Å, β = 92.175(6)°, R/R w = 0.026/0.035 for 1403 reflections, 2Θ ≤ 60°, MoKα). The structure can be generated by condensation of TiCl 6 groups first through cis edges to form TiCl 2 Cl 4/2 ribbons and then by interconnection of these with one chlorine per titanium to give layers, viz., ∞ 2 [Ti(Cl)Cl 4/2 Cl 1/2 ] − . The remaining, singly bonded chlorine projects into the interlayer region and has a TiCl distance 0.208 Å less than the average for the five, 2.466 Å, reflecting significant pi bonding of the chlorine to titanium. Possible interaction of the d xy 1orbitals on adjacent titanium(III) atoms is also considered.