104738-36-5Relevant academic research and scientific papers
Diamagnetic isocyanide complexes of titanium, zirconium, and hafnium
Kool, Lawrence B.,Rausch, Marvin D.,Herberhold, Max,Alt, Helmut G.,Thewalt, Ulf,Monoid, Brigitte
, p. 2465 - 2468 (2008/10/08)
Isocyanide complexes of the type Cp2M(CO)(L) (Cp = η5-cyclopentadienyl, L = tert-butyl isocyanide, M = Ti, Zr, Hf; L = 2,6-dimethylphenyl isocyanide, M = Ti, Zr; L = methyl isocyanide, M = Ti) and (Ind)2Ti(CO)(L) (Ind = η5-indenyl, L = tert-butyl isocyanide) were prepared and characterized by their IR, 1H and 13C NMR, and mass spectra. These are the first examples of diamagnetic isocyanide complexes of group 4 elements. The crystal structure of Cp2Ti(CO) (CN-t-Bu) (1) was determined by X-ray diffraction using 1414 reflections that were refined to a final R index of 0.077. The crystals were monoclinic, space group P21/c, with unit cell parameters a = 6.559 (2) A?, b = 14.236 (3) A?, and c = 16.631 (4) A?, β= 100.81 (3)°, and Z = 4. The molecular structure is typical of compounds of the type Cp2TiXY, with pseudo-tetrahedral geometry.
