Carbazole Substituted Amidinato Silylene: Synthesis, Bonding, and Coordination Behavior with Coinage Metals,Organometallics

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Carbazole Substituted Amidinato Silylene: Synthesis, Bonding, and Coordination Behavior with Coinage Metals
Organometallics ( IF 2.5 ) Pub Date : 2021-09-06 , DOI: 10.1021/acs.organomet.1c00399
Moushakhi Ghosh ₁ , Srinu Tothadi ₂ , Shabana Khan ₁

Affiliation

In this work, the synthesis and characterization of a new carbazole substituted amidinatosilylene (1) and its coinage metal complexes 3–8 are being reported. Before the complexation reactions, we prepared [PhC(N^tBu)₂Si(Cbz)→Co(CO)Cp] complex (2) to estimate the σ-donating strength of the newly synthesized silylene 1. Further, several commonly available coinage metal salts were utilized for the complexation reactions with 1, which afforded complexes 3–8. The solid-state structures of 1–8 have been validated by single-crystal X-ray diffraction studies, NMR spectroscopy, and mass spectroscopy. DFT studies were also performed to understand the bonding scenario of 1 and 3–7. Of note, 1 consists of a HOMO on its carbazolide moiety, and the HOMO-1 features the silylene character. We also compared the HOMO-LUMO gap of 1 with other amidinato silylenes having different N-substitutions.

中文翻译：

咔唑取代的脒基亚甲硅烷：与造币金属的合成、键合和配位行为

在这项工作中，一个新的咔唑取代amidinatosilylene（的合成和表征1）和它的货币金属配合物3 - 8被报道。在络合反应之前，我们制备了 [PhC(N ^t Bu) ₂ Si(Cbz)→Co(CO)Cp] 络合物 ( 2 ) 来估计新合成的亚甲硅烷1的 σ 供体强度。此外，几个常用的货币金属盐用于与所述络合反应1，得到配合物3 - 8。1 – 8的固态结构已通过单晶 X 射线衍射研究、核磁共振光谱和质谱验证。还进行了 DFT 研究以了解1和3 – 7的粘合情况。值得注意的是，1由其咔唑化物部分上的 HOMO 组成，而 HOMO-1 具有亚甲硅烷基特征。我们还比较了1的 HOMO-LUMO 间隙与其他具有不同 N 取代基的脒基亚甲硅烷。

更新日期：2021-09-27

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