Thermally Programmable Gas Storage and Release in Single Crystals of an Organic van der Waals Host

A single crystal of a low density form of guest-free p-tert-butylcalix[4]arene can take up and release small guest molecules by controlling the temperature and pressure without changing the structure. Using NMR spectroscopy with flowing hyperpolarized xenon, we have shown that at room temperature access of xenon to the pore system is difficult, whereas it is relatively easy at 100 °C. There are good prospects for simple van der Waals materials such as the title material to be used as programmable zeolite mimics.