Division of Chemistry and Biological Chemistry, School of Physical and Mathematical Sciences, Nanyang Technological University, 21 Nanyang Link, 637371, Singapore.
Sci Rep. 2013;3:1149. doi: 10.1038/srep01149. Epub 2013 Jan 28.
On the way towards a sustainable low-carbon future, the design and construction of chemical or physical adsorbents for CO(2) capture and clean energy storage are vital technology. The incorporation of accessible nitrogen-donor sites into the pore walls of porous adsorbents can dramatically affect the CO(2) uptake capacity and selectivity on account of the dipole-quadrupole interactions between the polarizable CO(2) molecule and the accessible nitrogen site. In the present work, a nitrogen-rich rth-type metal-organic framework (MOF) was constructed based on rational design and careful synthesis. The MOF presents exceptionally high uptake capacity not only for CO(2) but also for H(2), which is attributed to favorable interactions between the gas molecules and the nitrogen-rich triazole units of the MOF proved by both experimental measurements and theoretical molecular simulations.
在迈向可持续低碳未来的道路上，设计和构建用于 CO(2)捕获和清洁能源存储的化学或物理吸附剂是至关重要的技术。将易于接近的氮供体位点引入多孔吸附剂的孔壁中，可以显著影响 CO(2)的吸收能力和选择性，这是由于可极化的 CO(2)分子和易于接近的氮位点之间的偶极-四极相互作用。在本工作中，基于合理的设计和仔细的合成，构建了一种富氮 rth 型金属有机骨架（MOF）。该 MOF 不仅对 CO(2)而且对 H(2)都表现出极高的吸收能力，这归因于气体分子与 MOF 中富氮三唑单元之间的有利相互作用，这一点通过实验测量和理论分子模拟都得到了证实。
