Location of CO2 on silicalite-1 zeolite using a single-crystal X-ray method

The location of physisorbed CO2 molecules on silicalite-1 zeolite (MFI-type) is determined using a single-crystal X-ray method. There are four sorption sites for CO2 molecules in the three-dimensional channel system of the silicalite-1. Two of them are in the straight channel in disorder (STR1 and STR2), while the other sites are in the sinusoidal channel (SIN) and at the intersection (INT). Their occupancy factors indicate that a large portion of the CO2 molecules are located in the straight channel. It is also revealed that the straight channel is the most favorable for CO2 molecules as sorption sites.