Two 18ē TiIV$\upeta$5-Cp-tris(sec-amido)-type complexes derived from 1H-imidazol-2-yl side-chain functionalized cyclopentadienesстатьяКраткое сообщение
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Дата последнего поиска статьи во внешних источниках: 6 декабря 2018 г.
Аннотация:Achiral {2-[2-(h5-cyclopentadienyl)-2-methylpropyl]-1H-imidazolyl-kN1}bis(N,N-diethylamido-kN)titanium(IV), [Ti(C4H10N)2(C12H14N2)], (I), and closely related racemic (SR)-{2-[(h5-cyclopentadienyl)(phenyl)methyl]-1H-imidazolyl-kN1}-bis(N,N-diethylamido-kN)titanium(IV), [Ti(C4H10N)2(C15H12N2)], (II), have been prepared by direct reactions of Ti(NEt2)4 and the corresponding 1H-imidazol-2-yl side-chain functionalized cyclopentadienes. In compound (II), there are two crystallographically independent molecules of very similar geometries connected by a noncrystallographic pseudosymmetry operation akin to a 21 screw axis. All Ti-ligating N atoms in both (I) and (II) are in planar environments, which is indicative of an additional N-Ti ppi–dpi donation. This fact and the 18e- nature of both (I) and (II) are additionally supported by quantum chemical single-point density functional theory (DFT) computations.