The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene, is researched, Molecular C21H24N2, CAS is 141556-42-5, about N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Titanium(IV) and Titanium(III), the main research direction is titanium NHC cAAC carbene complex preparation substitution magnetic property; crystal structure titanium NHC cAAC carbene complex; mol structure titanium NHC cAAC carbene complex.Application of 141556-42-5.
The reaction of one and two equiv of the N-heterocyclic carbene IMes (IMes = 1,3-dimesitylimidazolin-2-ylidene) or the cyclic (alkyl)(amino)carbene cAAC-Me [cAAC-Me = 1-(2,6-diisopropylphenyl)-3,3,5,5-tetra-methylpyrrolidin-2-ylidene] with [TiCl4] in n-hexane results in the formation of mono- and bis-carbene complexes [TiCl4(IMes)] (1), [TiCl4(IMes)2] (2), [TiCl4(cAAC-Me)] (3), and [TiCl4(cAAC-Me)2] (4), resp. For comparison, the titanium(IV) NHC complex [TiCl4(IiPr-Me)] (5, IiPr-Me = 1,3-diisopropyl-4,5-dimethyl-imidazolin-2-ylidene) has been synthesized and structurally characterized. The reaction of 1 with PMe3 affords the mixed substituted complex [TiCl4(IMes)(PMe3)] (6). The reactions of [TiCl3(THF)3] with two equiv of the carbenes IMes and cAAC-Me in n-hexane lead to the clean formation of the titanium(III) complexes [TiCl3(IMes)2] (7) and [TiCl3(cAAC-Me)2] (8). Compounds 1-8 have been completely characterized by elemental anal., IR and multinuclear NMR spectroscopy and for 2-5, 7 and 8 by X-ray diffraction. Magnetometry in solution, EPR and UV/Vis spectroscopy and DFT calculations performed on 7 and 8 are indicative of a predominantly metal-centered d1-radical in both cases.
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