Abstract
The new diamagnetic Ti(III) complex (CyNC(H)NCy)(4)Ti(2)Cl(2).2THF (1) containing a short Ti-Ti distance was prepared and crystallographically characterized. Ab initio unrestricted Hartree-Fock calculations suggested the presence of a Ti-Ti bonding interaction. Crystal data for 1 are as follows: C(60)H(108)N(8)Ti(2)Cl(2)O(2), FW 1140.27, monoclinic Pn, a = 10.4688(9) Å, b = 14.4579(9) Å, c = 21.421(1) Å, beta = 100.227(9) degrees, V = 3190.6(7) Å(3), Z = 2, D(calc) = 1.187 g/cm(3), F(000) = 1236, &mgr; = 3.75 cm(-)(1), T = -158 degrees C, R = 0.074, R(w) = 0.075, GOF = 3.64 for 540 parameters and 4630 reflections out of 5771 unique reflections observed.
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