Center for Computational Chemistry, University of Georgia, USA.
Chem Commun (Camb). 2012 Jul 11;48(54):6797-9. doi: 10.1039/c2cc32288a. Epub 2012 May 29.
We have investigated the reaction of Re(dmb)(CO)(3)COOH with CO(2) using density functional theory, and propose a mechanism for the production of CO. This mechanism supports the role of Re(dmb)(CO)(3)COOH as a key intermediate in the formation of CO. Our new experimental work supports the proposed scheme.
我们使用密度泛函理论研究了 Re(dmb)(CO)(3)COOH 与 CO(2)的反应,并提出了一种生成 CO 的机制。该机制支持 Re(dmb)(CO)(3)COOH 作为 CO 形成过程中关键中间体的作用。我们的新实验工作支持了所提出的方案。