The structure determination with encapsulated carbon dioxide in copper-tetrazole frameworks

Abstract

The characterization of captured carbon dioxide (CO2) molecule is one of the important issues to understanding about those activation condition for conversion of CO2 molecules. Metal-organic frameworks (MOF) are highly porous and ordered structure, thus some of MOF structures utilize vessel or storage for gas capture and separation. In this work, we synthesized Copper-tetrazole Frameworks, [Cu3Cl2(tetrazole)4], which has microporous 1-D channels structure with neck-like portal window of ~2.5 Å in diameter. The encapsulated carbon dioxide molecules in this MOF structure with pressurized CO2 are analyzed by single crystal X-ray diffraction (SCXRD). The CO2@MOF were showed different multiple interaction between MOF structures and CO2 molecules depended on temperature. In this presentation, we will discuss observed structures and temperature dependent CO2 uptakes as gas sorption experiment and infrared (IR) spectroscopy.