Post-synthetic modification of tetrazine functionalized porous MOF for CO2 sorption performances modulation

Post-Synthetic Modification (PSM) is an important and efficient method to regulate and control properties of metal-organic framework (MOF). Herein, a series of PSM derivatives were constructed originating from the inverse-electron demand Diels-Alder (IEDDA) reaction of tetrazine moiety of a microporous MOF dptz-CuTiF6 and alkynyl reagents. Through the screening of different alkynyl reagents, MOFs with modified pore chemistry and tuned gas adsorption properties were obtained. 3-butyn-2-one-dptz-CuTiF6 exhibits a milder CO2 isosteric heat of adsorption (34.2 kJ mol(-1)) without lower CO2 adsorption capacity due to the repulsive interaction between introduced oxygen-containing groups and CO2. Besides, higher adsorption capacity of CO2 (105.3 cm(3) g(-1) and 65.5 cm(3) g(-1) at 1 bar and 0.1 bar) was achieved with oct-4-yne-dptz-CuTiF6 because of the increased stability due to the successful modification of hydrophobic groups on the surface of the framework.

Automated summary

Post-Synthetic Modification (PSM) is an efficient method to regulate properties of metal-organic frameworks (MOFs). Through the inverse-electron demand Diels-Alder (IEDDA) reaction, a series of PSM derivatives were constructed, leading to MOFs with modified pore chemistry and tuned gas adsorption properties.