化物离子的捐赠者属性AsF5的
Felix O'Donnell1, Stacey D Wetmore1, Michael Gerken1
1Canadian Centre for Research in Advanced Fluorine Technologies and Department of Chemistry and Biochemistry, University of Lethbridge, 4401 University Drive West, Lethbridge T1K 3M4, Canada.
Inorganic chemistry
|April 17, 2024
概括
五化与1,10-phenanthroline自电离,形成新的捐赠者稳定盐. 这些盐具有第一个结晶学特征的[AsF4 () ]+离子,通过电子捐赠证明了灭的电友性.
科学领域:
- 无机化学 无机化学
- 化学 的化学
- 协调化学 协调化学
背景情况:
- 五化 (AsF5) 是一种强大的易斯酸.
- 联体诱导的自离离子化是易斯酸化学中已知的现象.
- 捐赠体稳定具有独特的反应性和结构动机.
研究的目的:
- 为了研究五化物与含的配体的反应.
- 为了合成和表征新的捐赠者稳定酸.
- 探索这些新物种的电子特性和易斯酸度.
主要方法:
- 在SO2ClF溶液中诱导质自离离子反应.
- 盐的合成和结晶学表征.
- 密度函数理论 (DFT) 计算和自然键轨道 (NBO) 分析.
- 化物离子亲和度计算.
主要成果:
- 通过对AsF5与1,10-phenanthroline进行自离离子化,形成捐赠者稳定盐[AsF4(phen) ]][AsF6 .
- 合成混合-盐[AsF4[Sb2F11]. 的合成.
- 这些代表了第一个结晶学特征的捐赠者稳定[AsF4]+.
- 与2.2'-双二的反应产生了一个中性添加物,而不是自离子化.
- 计算的化物离子亲和度表明[AsF4]+和[SbF4]+是强大的易斯酸.
- DFT和NBO的分析证实了对[AsF4(phen) ]+中的As的显著电子捐赠,消除了其电友性.
结论:
- 配体选择决定了自离离子化与AsF5.5的形形成.
- 捐赠者稳定的[AsF4]+离子是可访问的,并且具有结构特征.
- 来自配体的电子捐赠有效地缓和了[AsF4]+核心的高易斯酸度.
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