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Reactions of d° Group 4 Amides with Dioxygen. Preparation of Unusual Oxo Aminoxy Complexes and Theoretical Studies of Their Formation.

Reactions of d amides M(NMe) (M = Zr, 1; Hf, 2) with O have been found to yield unusual trinuclear oxo aminoxide complexes M(NMe)(μ-NMe)(μ-O)(μ-ONMe) (M = Zr, 3; Hf, 4) in high yields. Tetramethylhydrazine MeN-NMe was also observed in the reaction mixtures. Crystal structures of 3 and 4 have been de...

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Publicado en:Journal of the American Chemical Society Vol. 127; no. 14; pp. 5204 - 5212
Autores principales: Ruitao Wang, Xin-Hao Zhang, Shu-Jian Chen, Xianghua Yu, Chang-Sheng Wang, Beach, David B., Yun-Dong Wu, Zi-Ling Xue
Formato: Artículo
Publicado: American Chemical Society 4/13/2005
Materias:
Amides
Crystals
Density functionals
Monomers
Functional analysis
Chemical reactions
Acceso en línea:Ver este registro en EBSCOhost
Sumario:Reactions of d amides M(NMe) (M = Zr, 1; Hf, 2) with O have been found to yield unusual trinuclear oxo aminoxide complexes M(NMe)(μ-NMe)(μ-O)(μ-ONMe) (M = Zr, 3; Hf, 4) in high yields. Tetramethylhydrazine MeN-NMe was also observed in the reaction mixtures. Crystal structures of 3 and 4 have been determined. Density functional theory calculations have been performed to explore the mechanistic pathways in the reactions of model complexes Zr(NR) (R = H, 5; Me, 1) and [Zr(NR)] (R = H, 5a; Me, 1a) with triplet O. Monomeric and dimeric reaction pathways in the formation of the Zr complex 3 are proposed.