X-ray, C-13 NMR, and DFT studies on a ruthenium(IV) allyl complex. Explanation for the observed control of regioselectivity in allylic alkylation chemistry

Hermatschweiler R; Fernandez I; Pregosin PS; Watson EJ; Albinati A; Rizzato S; Veiros LF; Calhorda MJ

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X-ray, C-13 NMR, and DFT studies on a ruthenium(IV) allyl complex. Explanation for the observed control of regioselectivity in allylic alkylation chemistry

机译：钌（IV）烯丙基络合物的X射线，C-13 NMR和DFT研究。在烯丙基烷基化化学中观察到的区域选择性控制的解释

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X-ray, C-13 NMR, and DFT studies on the cationic Ru(IV) allyl complex Ru(Cp*)Cl(CH3CN)(eta(3)- PhCHCHCH2), as a PF6 salt, have revealed a marked asymmetry in the bonding of the allyl ligand, which can be interpreted as arising from differences in T-bonding from the metal center to the two terminal allyl carbons. This asymmetry in the bonding is offered as an explanation for the observed control of regioselectivity in the Ru-catalyzed allylic alkylation reaction.

机译：阳离子Ru（IV）烯丙基络合物Ru（Cp *）Cl（CH3CN）（eta（3）-PhCHCHCH2）的X射线，C-13 NMR和DFT研究以PF6盐形式显示出明显的不对称性烯丙基配体的键合，可以解释为是从金属中心到两个末端烯丙基碳的T键合不同所引起的。结合中的这种不对称性为观察到的Ru催化的烯丙基烷基化反应中区域选择性的控制提供了解释。

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《Organometallics》 |2005年第8期|共4页
作者
Hermatschweiler R; Fernandez I; Pregosin PS; Watson EJ; Albinati A; Rizzato S; Veiros LF; Calhorda MJ;
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正文语种 eng
中图分类有机化学;
关键词
OXIDATIVE ADDITION; RU(II) COMPLEXES; SPECTROSCOPY; PALLADIUM(II); SUBSTITUTION; DIFFRACTION; PHOSPHINE; LIGANDS;

机译：氧化添加剂;钌（II）络合物;光谱学;钯（II）;取代;衍射;磷化氢;配体;

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1. X-ray, C-13 NMR, and DFT studies on a ruthenium(IV) allyl complex. Explanation for the observed control of regioselectivity in allylic alkylation chemistry [J] . Hermatschweiler R, Fernandez I, Pregosin PS, Organometallics . 2005,第8期

机译：钌（IV）烯丙基络合物的X射线，C-13 NMR和DFT研究。在烯丙基烷基化化学中观察到的区域选择性控制的解释
2. An X-ray Study of the Effect of the Bite Angle of Chelating Ligands on the Geometry of Palladium(allyl) complexes: Implications for the Regioselectivity in the Allylic Alkylation [J] . Richard J.van Haaren, Kees Goubitz, Jan Fraanje, Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2001,第14期

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7. X-ray, 13C NMR, and DFT Studies on a Ruthenium(IV) Allyl Complex. Explanation for the Observed Control of Regioselectivity in Allylic Alkylation Chemistry [O] . -1

机译：X射线，13C NMR和DFT研究钌（IV）烯丙基络合物。烯丙基烷基化化学中观察到的区域选择性控制的解释

X-ray, C-13 NMR, and DFT studies on a ruthenium(IV) allyl complex. Explanation for the observed control of regioselectivity in allylic alkylation chemistry

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