PREPARATION AND CHARACTERIZATION OF A DIAMAGNETIC AND DINUCLEAR TITANIUM(III) FORMAMIDINATE COMPLEX - EVIDENCE FOR THE EXISTENCE OF A TI-TIBOND

Authors
HAO SK FEGHALI K GAMBAROTTA S
Citation
Sk. Hao et al., PREPARATION AND CHARACTERIZATION OF A DIAMAGNETIC AND DINUCLEAR TITANIUM(III) FORMAMIDINATE COMPLEX - EVIDENCE FOR THE EXISTENCE OF A TI-TIBOND, Inorganic chemistry, 36(9), 1997, pp. 1745-1748
Citations number
53
Categorie Soggetti
Chemistry Inorganic & Nuclear
Journal title
Inorganic chemistry → ACNP
ISSN journal
00201669
Volume
36
Issue
9
Year of publication
1997
Pages
1745 - 1748
Database
ISI
SICI code
0020-1669(1997)36:9<1745:PACOAD>2.0.ZU;2-T
Abstract
The new diamagnetic Ti(III) complex (CyNC(H)NCy)(4)Ti2Cl2 . 2THF (1) c ontaining a short Ti-Ti distance was prepared and crystallographically characterized. Ab initio unrestricted Hartree-Fock calculations sugge sted the presence of a Ti-Ti bonding interaction. Crystal data for 1 a re as follows: C60H108N8Ti2Cl2O2, FW 1140.27, monoclinic Pn, a = 10.46 88(9) Angstrom, b = 14.4579(9) Angstrom, c = 21.421(1) Angstrom, beta = 100.227(9)degrees, V = 3190.6(7) Angstrom(3), Z = 2, D-calc = 1.187 g/cm(3), F-000 = 1236, mu = 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.