![Author ORCID: We display the ORCID iD icon alongside authors names on our website to acknowledge that the ORCiD has been authenticated when entered by the user. To view the users ORCiD record click the icon. [opens in a new tab]](https://chemrxiv.org/engage/assets/public/chemrxiv/images/logos/orcid.png)
Abstract
MOFs based on group 12 metals, namely, [Zn2(O3PyCP)Cl4] (Zn-O3PyCp), [Cd(O3PyCP)(NO3)2].H2O (Cd-O3PyCp), and [Hg(O3PyCP)Cl2] (Hg-O3PyCp), were synthesized using a novel flexible molecular building block, octakis(3-pyridyloxy)cyclotetraphosphazene (O3PyCP), and group 12 metal salts (ZnCl2, Cd(NO3)2.6H2O, HgCl2). The crystals of each of the cationic frameworks were structurally characterized by single crystal X-ray diffraction, elemental, FT-IR, and thermogravimetrical (TGA) analysis. Due to the flexibility of O3PyCP building block, we were able to observe three distinct cationic frameworks with group 12 metal ions. We performed the atomically detailed simulations to compute H2 adsorption isotherms of the resulting frameworks at a pressure range of 0–1 bar at 77 K. Zn-O3PyCp exhibits the highest H2 uptake capacity (58.42 cm3 STP/g).
Supplementary materials
Title
Supporting Information of Cationic MOFs
Description
Positive ion MALDI MS of O3PyCP; selected bond lengths (Å) and bond angles (°) for crystal structures; structural properties of complexes; interaction potential parameters used for H2 molecules; interaction potential parameters used for complexes’ atoms; crystal data and refinement parameters for O3PyCp, Zn-O3PyCp, Cd-O3PyCp, and Hg-O3PyCp. CCDC 2161502 (N4P4Cl8 (T-Form) and 1469348-1469351 (O3PyCp, Zn-O3PyCp, Cd-O3PyCp, and Hg-O3PyCp) contain the supplementary crystallographic data for this paper
Actions
