X-Ray crystal structure of [HSm{VIVO(TPPS)}]n and encapsulation of nitrogen molecules in 1-D channels

Abstract

The crystal structure of an N₂-encapusulated MOF, which is stable under open-air conditions at ambient temperature, was determined by single-crystal X-ray diffraction at 123 K. The crystal MOF of [HSm{V^IVO(TPPS)}]_n designed to have 1-D channels periodically constricted by porphyrins planes adsorbed N₂ at 77 K. The adsorbed N₂ molecules remained in the 1-D channels even after warming to ambient temperature. The single-crystal structure of [HSm{V^IVO(TPPS)}]_n⊃N₂ determined by X-ray diffraction indicated that N₂ molecules trapped in the constricted parts block other N₂ molecules in 1-D channels from escaping from the MOF. Such a unique encapsulation mode provides a promising approach toward designing novel MOFs with high gas storage capacity at ambient temperature.