浙江大学鲍宗必团队开发了高效分离氙和氪的氢键金属碱基框架。相关研究成果发表在2022年1月6日出版的《德国应用化学》。

Xe/Kr分离是工业上重要但具有挑战性的过程之一，因为其惰性和在空气中的低浓度。高效能吸附分离技术是一种很有前途的分离技术。

该文中，两种同构氢键金属碱基框架（HOF-ZJU-201和HOF-ZJU-202）能够在环境条件下分离Xe/Kr，并在容量和选择性之间实现了极好的平衡。HOF-ZJU-201a在298K和1.0bar下的Xe容量达到3.01mmol/g，而最后选择性和亨利常数分别为21.0和21.6。直接突破实验证实了卓越的分离性能，从较低浓度的Xe/Kr混合气体中获得25.8 mmol/kg的Xe容量。

密度泛函理论计算表明，富电子阴离子和缺电子嘌呤杂环在受限电场中产生的极化增强导致了选择性结合。

附：英文原文

Title: Hydrogen-Bonded Metal-Nucleobase Frameworks for Efficient Separation of Xenon and Krypton

Author: Ying Liu, Hui Wu, Lidong Guo, Wei Zhou, Zhiguo Zhang, Qiwei Yang, Yiwen Yang, Qilong Ren, Zongbi Bao

Issue&Volume: 2022-01-06

Abstract: Xe/Kr Separation is one of the industrially important but challenging processes owing to their inert properties and low concentrations in the air. Energy-effective adsorption-based separation is a promising technology. Herein, two isostructural hydrogen-bonded metal-nucleobase frameworks (HOF-ZJU-201 and HOF-ZJU-202) are capable of separating Xe/Kr under ambient conditions and strikes an excellent balance between capacity and selectivity. The Xe capacity of HOF-ZJU-201a reaches 3.01 mmol/g at 298 K and 1.0 bar, while IAST selectivity and Henry's constant are 21.0 and 21.6, respectively. Direct breakthrough experiments confirmed the excellent separation performance, affording a Xe capacity of 25.8 mmol/kg from a Xe/Kr mixed-gas at dilute concentrations. Density functional theory calculations revealed that the selective binding arises from the enhanced polarization in the confined electric field produced by the electron-rich anions and the electron-deficient purine heterocyclic rings.

DOI: 10.1002/anie.202117609

Source: https://onlinelibrary.wiley.com/doi/10.1002/anie.202117609