A Linear Metallocene of Sc(II) Supported by [C5Me4(SiMe2tBu)]1– Ligands

IF 15.6 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of the American Chemical Society Pub Date : 2025-06-12 DOI:10.1021/jacs.5c07237

Joseph Q. Nguyen, Ahmadreza Rajabi, Anthony J. Wang, Joseph W. Ziller, Filipp Furche* and William J. Evans*,

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Abstract

Reduction of [C₅Me₄(SiMe₂^tBu)]₂ScI with KC₈ generates the first example of a neutral, linear metallocene of scandium analogous to ferrocene, namely [C₅Me₄(SiMe₂^tBu)]₂Sc. X-ray diffraction studies, spectroscopic analyses, and DFT calculations are consistent with a Sc(II) complex. [C₅Me₄(SiMe₂^tBu)]₂Sc reacts reversibly with N₂ to provide the end-on (N═N)^2– complex {[C₅Me₄(SiMe₂^tBu)]₂Sc}₂(μ-η¹:η¹-N₂) and gives a rare example of a crystallographically characterizable Sc(III) terminal hydroxide, namely [C₅Me₄(SiMe₂^tBu)]₂Sc(OH), as a hydrolysis product. The analogous linear Ca(II) metallocene [C₅Me₄(SiMe₂^tBu)]₂Ca was synthesized and characterized for comparison.

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由[C5Me4(SiMe2tBu)]1-配体支持的Sc（II）线性茂金属。

用KC8还原[C5Me4(SiMe2tBu)]2ScI生成了第一个类似于二茂铁的中性、线性的钪茂金属，即[C5Me4(SiMe2tBu)]2Sc。x射线衍射研究、光谱分析和DFT计算与Sc（II）配合物一致。[C5Me4(SiMe2tBu)]2Sc与N2可逆反应生成端上（N = N）2-络合物{[C5Me4(SiMe2tBu)]2Sc}2(μ-η1:η1-N2)，并给出了一个罕见的晶体学表征的Sc（III）末端氢氧化物的例子，即[C5Me4(SiMe2tBu)]2Sc(OH)，作为水解产物。合成了类似的线性Ca（II）茂金属[C5Me4(SiMe2tBu)]2Ca，并进行了表征比较。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of the American Chemical Society 化学-化学综合

CiteScore

24.40

自引率

6.00%

发文量

2398

审稿时长

1.6 months

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