Isolation of the parent triplet titanocene via NHC stabilisation†

IF 3.3 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Dalton Transactions Pub Date : 2025-02-28 DOI:10.1039/D5DT00480B
Felix Meyer, Serhiy Demeshko, Christopher Golz, Oliver P. E. Townrow and Malte Fischer
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Abstract

We present the synthesis and characterization of the parent isolable monomeric triplet titanocene complex, stabilized by the N-heterocyclic carbene (NHC) IMe4. Investigated by SQUID magnetometry and quantum-chemical calculations, reactivity studies of the titanium precursor [Cp2Ti(btmsa)] (2) with the NHC IiPr2Me2 and the zirconocene complex [Cp2Zr(py)(btmsa)] (1) revealed divergent reactivity patterns, highlighting the role of steric and electronic effects in stabilization.

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NHC稳定分离母三态二茂钛
本文首次合成并表征了n -杂环碳(NHC) IMe4稳定的可分离的二茂钛单体三重态配合物。通过SQUID磁强计和量子化学计算,研究了钛前驱体[Cp2Ti(btmsa)](2)与NHC IiPr2Me2和锆新统配合物[Cp2Zr(py)(btmsa)](1)的反应性,揭示了不同的反应模式,突出了空间和电子效应在稳定中的作用。
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来源期刊
Dalton Transactions
Dalton Transactions 化学-无机化学与核化学
CiteScore
6.60
自引率
7.50%
发文量
1832
审稿时长
1.5 months
期刊介绍: Dalton Transactions is a journal for all areas of inorganic chemistry, which encompasses the organometallic, bioinorganic and materials chemistry of the elements, with applications including synthesis, catalysis, energy conversion/storage, electrical devices and medicine. Dalton Transactions welcomes high-quality, original submissions in all of these areas and more, where the advancement of knowledge in inorganic chemistry is significant.
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