Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, 1113 Sofia, Bulgaria.
Faculty of Chemistry and Pharmacy, University of Sofia, 1126 Sofia, Bulgaria.
J Phys Chem Lett. 2023 Feb 16;14(6):1564-1569. doi: 10.1021/acs.jpclett.2c03294. Epub 2023 Feb 6.
To design efficient CO capture materials, it is necessary to ensure a high adsorption capacity. We recently reported that one Na site in NaY zeolite can attach two CO molecules. However, the process is not suitable for practical use because it proceeds at a low temperature. Here, we present results on CO adsorption on CaNaY zeolites, demonstrating that one Ca site can attach three CO molecules. The ν(CO) mode arising from the natural C abundance allows for easy infrared monitoring of the processes: it appears at 2298, 2294, and 2291 cm for the complexes with one, two, and three CO ligands, respectively. The CO molecules in the polyligand complexes interact vibrationally, leading to the split of the ν(CO) modes. At ambient temperature, Ca(CO) complexes predominate at >1 mbar CO and triligand species begin to form at 65 mbar. The obtained results show that CaY zeolites can be very effective CO capture materials.
为了设计高效的 CO 捕获材料,有必要确保高吸附容量。我们最近报道,NaY 沸石中的一个 Na 位可以连接两个 CO 分子。然而,这个过程由于在低温下进行,因此不适合实际应用。在这里,我们介绍了在 CaNaY 沸石上吸附 CO 的结果,表明一个 Ca 位可以连接三个 CO 分子。源自天然 C 丰度的 ν(CO)模式允许对过程进行轻松的红外监测:它分别出现在与一个、两个和三个 CO 配体的配合物中的 2298、2294 和 2291 cm 处。多配体配合物中的 CO 分子相互振动,导致 ν(CO)模式分裂。在环境温度下,在 >1 mbar CO 下,Ca(CO)配合物占主导地位,而在 65 mbar 下开始形成三配位物种。所得结果表明,CaY 沸石可以成为非常有效的 CO 捕获材料。