银离子标记在5,7,12,14-tetraphenyl-6,13-diazapentacene及其二形式上
Marina Kinzelmann1, Johannes Oschwald1, Holger Elsen2
1Physical Chemistry I, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstraße 3, 91058 Erlangen, Germany. thomas.drewello@fau.de.
Physical chemistry chemical physics : PCCP
|May 26, 2023
概括
研究了银(I) 阴离子与二亚丁烯衍生物的结合. 氧化形式强烈地结合一个银离子,而减少形式更稳定地结合两个银离子,日光加速氧化.
科学领域:
- 协调化学 协调化学
- 超分子化学 超分子化学
- 质谱测量质量谱测量
背景情况:
- 5,7,12,14-tetraphenyl-6,13-diazapentacene是一种宏环有机分子,在协调化学中具有潜在的应用.
- 了解金属与有机配体的相互作用对于设计新材料和催化剂至关重要.
研究的目的:
- 为了研究银 (I) 离子与5,7,12,14-tetraphenyl-6,13-diazapentacene的氧化和减少形式的结合.
- 为了阐明气相中得到的银复合物的结构.
- 要了解由银 (I) 添加引起的溶液相氧化过程.
主要方法:
- 电子喷雾电离质谱法 (ESI-MS) 用于形成和检测银复合物.
- 气相碰撞实验被用于结构特征.
- 进行密度函数理论 (DFT) 计算,以补充实验发现,并提供对几何学的见解.
主要成果:
- 氧化后的迪亚zapentacene 形成一个稳定的 [1:1] 银(I) 复合体,阻碍了进一步的连接.
- 减少的二形式,带有部分阻塞的腔,形成一个不太稳定的 [1:1] 复合体,但很容易容纳第二个白银(I) 离子,产生最稳定的 [2:1] 复合体.
- 银 (I) 添加到溶液中的减少形式会诱导氧化,这是遵循第一阶动力学并被光加速的过程.
结论:
- 银(I) 离子的结合亲和力和固基几何学高度依赖于二氧化酸链体的氧化还原状态.
- DFT计算为气相银复合体提供了准确的结构模型.
- 用银 ((I) 氧化二-亚丁的溶液相氧化是一个光加速的过程,有一个提出的机制.
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