离子配对在阴离子烯酸-黄金 (I) 复合体中
Daniele Zuccaccia1, Leonardo Belpassi, Francesco Tarantelli
1Dipartimento di Chimica, Università degli Studi di Perugia, Via Elce di Sotto, 8, 06123 Perugia, Italy.
Journal of the American Chemical Society
|February 18, 2009
概括
这个国家是 counterion.
科学领域:
- 有机金属化学 有机金属化学
- 超分子化学 超分子化学
背景情况:
- 在有机金属复合体中,离子相互作用至关重要.
- 了解这些相互作用会影响催化剂的设计和反应性.
研究的目的:
- 为了研究金烯复合体中的相对阴离子定向.
- 为了确定辅助连接物如何影响 counterion 定位.
主要方法:
- 使用的-19,质子-1 核重复效应光谱 (19F,1H-HOESY NMR).
- 使用密度函数理论 (DFT) 用溶剂和相对论效应进行计算.
主要成果:
- 在[(PPh(3)) Au(4-Me-styrene) ]BF(4) 中,BF(4) ((-) 离子位于烯区域附近,与基相反.
- 在[{NHC) Au{4-Me-styrene}]BF{4}中,BF{4}{-}离子位于N-异环碳素 (NHC) 连接体附近.
- 在这两个综合体中, counterion 仍然远离黄金中心.
结论:
- counterion 的位置可以通过辅助连接体选择进行调整.
- 这种可调性允许对催化剂特性和活性进行更大的控制.
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