当前位置：
X-MOL 学术
›
Eur. J. Inorg. Chem.
›
论文详情
Our official English website, www.x-mol.net, welcomes your
feedback! (Note: you will need to create a separate account there.)
Exploration of Novel α,ω‐Substituted Diphosphatrisilanes by Combining Experimental Methods and DFT Calculations
European Journal of Inorganic Chemistry ( IF 2.2 ) Pub Date : 2020-09-03 , DOI: 10.1002/ejic.202000581 Gernot P. Weinberger 1 , Florian Sommer 1 , Ana Torvisco 1 , Roland C. Fischer 1 , Michaela Flock 1
European Journal of Inorganic Chemistry ( IF 2.2 ) Pub Date : 2020-09-03 , DOI: 10.1002/ejic.202000581 Gernot P. Weinberger 1 , Florian Sommer 1 , Ana Torvisco 1 , Roland C. Fischer 1 , Michaela Flock 1
Affiliation
|
The novel diphosphatrisilanes {(R2P‐Si(SiMe3)2‐)2‐SiMe2} [R = Ph, H] and the cyclophosphatrisilabutanes {R–PSi3} [R = H, SiMe3] have been prepared via salt metathesis reactions between phosphanides and 2,4‐dihalogenated pentasilanes and characterized via NMR spectroscopy. The experimental results were supported by DFT calculations. Although P–Si bond formation was observed in all cases, the outcome of the reactions varied depending on the nature of ligands on the phosphanides, forming either linear diphosphatrisilanes or cyclic phosphatrisilacyclobutanes. DFT studies were performed to get a better understanding of the reactions. The precursor silanes were fully characterized using NMR spectroscopy and single‐crystal X‐ray diffraction and offer interesting building blocks. In addition, a modified route for the synthesis of P(TMS)3 was successfully carried out, achieving high yields of up to 73 %, circumventing the use of white phosphorus and phosphine gas during the reaction.
中文翻译：
结合实验方法和DFT计算探索新型α，ω-取代的二磷三硅烷
新型二磷三硅烷{（R 2 P-Si（SiMe 3）2-）2 -SiMe 2 } [R = Ph，H]和环磷杂硅氮杂丁烷{R–PSi 3 } [R = H，SiMe 3]是通过膦酸酯与2,4-二卤代五硅烷之间的盐复分解反应制备的，并通过NMR光谱进行表征。DFT计算支持了实验结果。尽管在所有情况下都观察到了P–Si键的形成，但反应的结果因膦酸酯上配体的性质而异，形成线性二磷三硅烷或环状磷杂硅烷基环丁烷。进行了DFT研究，以更好地了解反应。使用NMR光谱和单晶X射线衍射对前体硅烷进行了充分表征，并提供了有趣的组成部分。此外，用于合成P（TMS）3的修饰路线 该反应成功进行，收率高达73％，避免了在反应过程中使用白磷和磷化氢气体。
更新日期：2020-10-17
中文翻译：
结合实验方法和DFT计算探索新型α，ω-取代的二磷三硅烷
新型二磷三硅烷{（R 2 P-Si（SiMe 3）2-）2 -SiMe 2 } [R = Ph，H]和环磷杂硅氮杂丁烷{R–PSi 3 } [R = H，SiMe 3]是通过膦酸酯与2,4-二卤代五硅烷之间的盐复分解反应制备的，并通过NMR光谱进行表征。DFT计算支持了实验结果。尽管在所有情况下都观察到了P–Si键的形成，但反应的结果因膦酸酯上配体的性质而异，形成线性二磷三硅烷或环状磷杂硅烷基环丁烷。进行了DFT研究，以更好地了解反应。使用NMR光谱和单晶X射线衍射对前体硅烷进行了充分表征，并提供了有趣的组成部分。此外，用于合成P（TMS）3的修饰路线 该反应成功进行，收率高达73％，避免了在反应过程中使用白磷和磷化氢气体。
京公网安备 11010802027423号